4,4'-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis(phenol)
| Catalog Number | Size | Price | Stock | Quantity |
|---|---|---|---|---|
| BPM-075670 | 1 kg | $749 | In stock |
Product Information
Molecular Formula
C29H28O3
Molecular Weight
424.53
Description
4,4'-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis(phenol), also known as bisphenol A, is a pharmacological agent widely employed in the management of hormone-dependent breast carcinoma. This revolutionary biomedicine exerts its therapeutic effects through the modulation of estrogen receptors, displaying a remarkable selective affinity. By attenuating the proliferation of malignant cells, this compound effectively curtails the probability of tumor advancement and relapse, making it an indispensable tool in the battle against this devastating disease.
Synonyms
Phenol, 4,4'-[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis-; 4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol; α,α,α'-Tris(4-hydroxyphenyl)-1-ethyl-4-isopropylbenzene
IUPAC Name
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
SMILES
CC(C)(C1=CC=C(C=C1)C(C)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3
InChI Key
WXYSZTISEJBRHW-UHFFFAOYSA-N
Boiling Point
623.1±50.0 °C(Predicted)
Melting Point
225°C
Purity
98%
Density
1.186±0.06 g/cm3(Predicted)
Appearance
White to Almost white powder to crystal
Storage
Store at RT.
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.
Causes skin irritation.
H319:
Causes serious eye irritation.
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
Computed Properties
XLogP3
6.9
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
424.20384475 g/mol
Monoisotopic Mass
424.20384475 g/mol
Topological Polar Surface Area
60.7Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
547
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2021165326-A1 | Positive-type photosensitive resin composition and cured film prepared therefrom | 2019-12-02 |
| WO-2021080267-A1 | Polysiloxane copolymer, method for producing same, and resin composition comprising same | 2019-10-23 |
| US-2021116807-A1 | Photosensitive compositions and applications thereof | 2019-10-17 |
| WO-2021076131-A1 | Photosensitive compositions and applications thereof | 2019-10-17 |
| WO-2021039407-A1 | Active-ray-sensitive or radiation-sensitive resin composition, pattern formation method, and electronic device manufacturing method | 2019-08-30 |
| EP-3771723-A1 | Additive manufacturing article and method | 2019-07-31 |
| WO-2021019074-A1 | Colour change composition and compounds | 2019-07-31 |
| WO-2021021399-A1 | Additive manufacturing article and method | 2019-07-31 |
| US-2020407510-A1 | Positive-type photosensitive resin composition and cured film prepared therefrom | 2019-06-28 |
| WO-2020246517-A1 | Positive-type photosensitive resin composition and partition wall of organic el element | 2019-06-03 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 19419203 | 2009-05-14 | Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase | Journal of medicinal chemistry |
| 17508203 | 2007-11-01 | Uterotrophic assay, Hershberger assay, and subacute oral toxicity study of 4,4 -[1-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol] based on the OECD draft protocols | Archives of toxicology |
