2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid
TL;DR: 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid (CAS 714208-37-4) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: CBKinase1_010135, CBKinase1_022535, 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid, AN-329/41402739, 2-[(4-cyanoanilino)carbonyl]cyclohexanecarboxylic acid
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.38778 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 545.2322 |
Chemical Identifiers
| CAS Number | 714208-37-4 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)O |
Product Overview
2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid (CAS 714208-37-4), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: 2-[(4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid
Property Insights of 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid
The XLogP value of 2.38778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid. Following Lipinski's Rule of Five, 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid?
The CAS number of 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid is 714208-37-4.
What is the molecular formula of 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid?
The molecular formula of 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid is C15H16N2O3.
What is the molecular weight of 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid?
The molecular weight of 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid is 272.12 g/mol.
Where can I buy 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid?
You can request a quote for 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Cyanophenyl)carbamoyl)cyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.