3-Cyclohexaneamidobenzoic acid
TL;DR: 3-Cyclohexaneamidobenzoic acid (CAS 180991-55-3) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexanecarbonylamino)benzoic acid
Also Known As: 3-cyclohexaneamidobenzoic acid, 3-(cyclohexanecarboxamido)benzoic acid, 3-[(cyclohexylcarbonyl)amino]benzoic acid, 3-(cyclohexanecarbonylamino)benzoic Acid, Benzoic acid, 3-[(cyclohexylcarbonyl)amino]-
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.9036 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 450.10727 |
Chemical Identifiers
| CAS Number | 180991-55-3 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-Cyclohexaneamidobenzoic acid (CAS 180991-55-3), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 3-(cyclohexanecarbonylamino)benzoic acid.
Chemical Property Profile of 3-Cyclohexaneamidobenzoic acid
Property Insights of 3-Cyclohexaneamidobenzoic acid
The XLogP value of 2.9036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexaneamidobenzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclohexaneamidobenzoic acid. Following Lipinski's Rule of Five, 3-Cyclohexaneamidobenzoic acid has 2 hydrogen bond donor(s) and 2 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-Cyclohexaneamidobenzoic acid?
The CAS number of 3-Cyclohexaneamidobenzoic acid is 180991-55-3.
What is the molecular formula of 3-Cyclohexaneamidobenzoic acid?
The molecular formula of 3-Cyclohexaneamidobenzoic acid is C14H17NO3.
What is the molecular weight of 3-Cyclohexaneamidobenzoic acid?
The molecular weight of 3-Cyclohexaneamidobenzoic acid is 247.12 g/mol.
Where can I buy 3-Cyclohexaneamidobenzoic acid?
You can request a quote for 3-Cyclohexaneamidobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexaneamidobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexaneamidobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.