Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester
TL;DR: Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester (CAS 448254-65-7) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: 2-[(2-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic Acid, benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester, 2-{[2-(ethoxycarbonyl)phenyl]carbamoyl}cyclohexanecarboxylic acid, 2-{N-[2-(ethoxycarbonyl)phenyl]carbamoyl}cyclohexanecarboxylic acid, 2-{[2-(ETHOXYCARBONYL)ANILINO]CARBONYL}-1-CYCLOHEXANECARBOXYLIC ACID
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 2.6928 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 598.4014 |
Chemical Identifiers
| CAS Number | 448254-65-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2CCCCC2C(=O)O |
Product Overview
Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester (CAS 448254-65-7), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: 2-[(2-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester
Property Insights of Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester
The XLogP value of 2.6928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester has 2 hydrogen bond donor(s) and 4 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 Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester?
The CAS number of Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester is 448254-65-7.
What is the molecular formula of Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester?
The molecular formula of Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester is C17H21NO5.
What is the molecular weight of Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester?
The molecular weight of Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester is 319.14 g/mol.
Where can I buy Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester?
You can request a quote for Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[[(2-carboxycyclohexyl)carbonyl]amino]-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.