1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate
Product Information
Molecular Formula
C23H27NO5
Molecular Weight
397.47
Description
1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate is a pharmaceutical intermediate often used in the production of potent drugs. Primarily, it is associated with the synthesis of therapeutic agents targeting inflammatory conditions such as rheumatoid arthritis, and certain types of cancer.
Synonyms
Cyclohexylcarbamic Acid 1,2-Bis(4-methoxyphenyl)-2-oxoethyl Ester
IUPAC Name
[1,2-bis(4-methoxyphenyl)-2-oxoethyl] N-cyclohexylcarbamate
SMILES
COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)NC3CCCCC3
InChI
InChI=1S/C23H27NO5/c1-27-19-12-8-16(9-13-19)21(25)22(17-10-14-20(28-2)15-11-17)29-23(26)24-18-6-4-3-5-7-18/h8-15,18,22H,3-7H2,1-2H3,(H,24,26)
InChI Key
MTNUOOJIYAKURM-UHFFFAOYSA-N
Melting Point
118 °C
Purity
>98.0%(HPLC)(N)
Appearance
White to Almost white powder to crystal
Computed Properties
XLogP3
4.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
8
Exact Mass
397.18892296 g/mol
Monoisotopic Mass
397.18892296 g/mol
Topological Polar Surface Area
73.9Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
517
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
