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1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate

1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate

Name: 1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate
Brand: BOC Sciences
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Molecular Formula:

C23H27NO5

Molecular Weight:

397.47

CAS Number:

196599-80-1

Catalog Number:

196599-80-1

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

397.18892296 g/mol

Monoisotopic Mass

397.18892296 g/mol

Topological Polar Surface Area

73.9Å²

Heavy Atom Count

Formal Charge

Complexity

517

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

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

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

1,2-Bis(4-methoxyphenyl)-2-oxoethyl Cyclohexylcarbamate

Product Information

Computed Properties

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