![3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid structure](/static/products/3309/330998-46-4.webp)
3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid
TL;DR: 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid (CAS 330998-46-4) is a chemical compound with molecular formula C15H17NO5 and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-carboxycyclohexanecarbonyl)amino]benzoic acid
Also Known As: ChemDiv3_001569, CBKinase1_000057, CBKinase1_012457, BAS 00329150, IDI1_020535
| Molecular Formula | C15H17NO5 |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.1107 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 330998-46-4 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | LHZDDILKQAJPCN-UHFFFAOYSA-N |
Product Overview
3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid (CAS 330998-46-4), with molecular formula C15H17NO5 and molecular weight 291.11 g/mol. IUPAC: 3-[(2-carboxycyclohexanecarbonyl)amino]benzoic acid.
Chemical Property Profile of 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid
Property Insights of 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid has 3 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-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid?
The CAS number of 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid is 330998-46-4.
What is the molecular formula of 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid?
The molecular formula of 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid is C15H17NO5.
What is the molecular weight of 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid?
The molecular weight of 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid is 291.11 g/mol.
Where can I buy 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid?
You can request a quote for 3-{[(2-Carboxycyclohexyl)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 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2-Carboxycyclohexyl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.