SPIROBICROMANE

Inquiry

Molecular Formula:

C21H24O4

Molecular Weight:

340.41

CAS Number:

3127-14-8

Catalog Number:

3127-14-8

Product Information

Molecular Formula:

C21H24O4

Molecular Weight:

340.41

Description

Spirobicromane is a natural compound revered in the biomedical realm and emanates immense intrigue due to its auspicious potential to combat the formidable scourge of cancer. Its multifaceted bioactivity entails the suppression of malignant progression via perturbation of vital oncogenic signaling pathways. Exhaustive investigations have attested to its proficuousness in combating diverse forms of cancer, notably encompassing breast, lung, and colorectal malignancies.

Synonyms

Spirobicromane; BWQOXWHQZXVXSD-UHFFFAOYSA-N; 3127-14-8; AC1LC0EG; Oprea1_460896; SCHEMBL3362045

IUPAC Name

4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol

Canonical SMILES

CC1(CC2(CC(C3=C(O2)C=C(C=C3)O)(C)C)OC4=C1C=CC(=C4)O)C

InChI

InChI=1S/C21H24O4/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10,22-23H,11-12H2,1-4H3

InChI Key

BWQOXWHQZXVXSD-UHFFFAOYSA-N

Boiling Point

525.9ºC at 760 mmHg

Melting Point

200ºC

Purity

95%

Density

1.27g/cm3

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

5.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

340.16745924 g/mol

Monoisotopic Mass

340.16745924 g/mol

Topological Polar Surface Area

58.9Å²

Heavy Atom Count

Formal Charge

Complexity

468

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2022044962-A1	Curable composition for antimicrobial and antiviral material, antimicrobial and antiviral material, and antimicrobial and antiviral laminate	2020-08-27
WO-2022045018-A1	Polymerizable functional group-containing microballoon	2020-08-26
WO-2022030531-A1	Curable composition and cured article thereof	2020-08-05
WO-2021241708-A1	Laminated polishing pad	2020-05-28
WO-2021241709-A1	Polyfunctional quaternary ammonium salt of sulfonic acid having active-hydrogen groups	2020-05-28
WO-2021201088-A1	Hollow microballoons for cmp polishing pad	2020-03-31
WO-2021201089-A1	Hollow microballoons	2020-03-31
WO-2021117837-A1	Ionic-group-containing microballoon and production method therefor	2019-12-11
WO-2021065625-A1	Microballoon production method	2019-10-03
JP-2020076010-A	Rotaxane monomer and curable composition containing the monomer	2018-11-08

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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