![2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid structure](/static/products/331/331865-95-3.png)
2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid
TL;DR: 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid (CAS 331865-95-3) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid
Also Known As: BAS 00649078, 2-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid, 2-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid, 2-[(2-carboxycyclohex-4-enyl)carbonylamino]benzoic acid, 2-[(6-Carboxy-cyclohex-3-enecarbonyl)-amino]-benzoic acid
| Molecular Formula | C15H15NO5 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 1.9903 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.09503 |
| Heavy Atoms | 21 |
| Complexity | 607.8365 |
Chemical Identifiers
| CAS Number | 331865-95-3 |
|---|---|
| SMILES | C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)O)C(=O)O |
Product Overview
2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid (CAS 331865-95-3), with molecular formula C15H15NO5 and molecular weight 289.10 g/mol. IUPAC: 2-[(6-carboxycyclohex-3-ene-1-carbonyl)amino]benzoic acid.
Chemical Property Profile of 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid
Property Insights of 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid
The XLogP value of 1.9903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid has 3 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-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid?
The CAS number of 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid is 331865-95-3.
What is the molecular formula of 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid?
The molecular formula of 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid is C15H15NO5.
What is the molecular weight of 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid?
The molecular weight of 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid is 289.10 g/mol.
Where can I buy 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid?
You can request a quote for 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-Carboxycyclohex-3-en-1-yl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.