3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester
TL;DR: 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester (CAS 90699-77-7) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-4-hydroxy-6-oxo-2,4-diphenylcyclohexane-1-carboxylate
Also Known As: 3-CYANO-4-HYDROXY-6-OXO-2,4-DIPHENYL-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER, ethyl 3-cyano-4-hydroxy-6-oxo-2,4-diphenylcyclohexane-1-carboxylate, Ethyl 3-cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexane-1-carboxylate, 684-979-5, RefChem:500600
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 2.94988 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 858.8865 |
Chemical Identifiers
| CAS Number | 90699-77-7 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C#N)C3=CC=CC=C3 |
Product Overview
3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester (CAS 90699-77-7), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: ethyl 3-cyano-4-hydroxy-6-oxo-2,4-diphenylcyclohexane-1-carboxylate.
Chemical Property Profile of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester
Property Insights of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester
The XLogP value of 2.94988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester?
The CAS number of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester is 90699-77-7.
What is the molecular formula of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester?
The molecular formula of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester is C22H21NO4.
What is the molecular weight of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester?
The molecular weight of 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester is 363.15 g/mol.
Where can I buy 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester?
You can request a quote for 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-4-hydroxy-6-oxo-2,4-diphenyl-cyclohexanecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.