![3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid structure](/static/products/1317/13174-37-3.webp)
3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
TL;DR: 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid (CAS 13174-37-3) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-3-ylmethylamino)benzoic acid
Also Known As: 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid, 3-((Pyridin-3-ylmethyl)amino)benzoic acid, CBKinase1_010566, CBKinase1_022966, 3-(pyridin-3-ylmethylamino)benzoic acid
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.3919 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 511.83774 |
Chemical Identifiers
| CAS Number | 13174-37-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NCC2=CN=CC=C2)C(=O)O |
Product Overview
3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid (CAS 13174-37-3), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 3-(pyridin-3-ylmethylamino)benzoic acid.
Chemical Property Profile of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
Property Insights of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
The XLogP value of 2.3919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid. Following Lipinski's Rule of Five, 3-[(Pyridin-3-ylmethyl)-amino]-benzoic 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 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid?
The CAS number of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid is 13174-37-3.
What is the molecular formula of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid?
The molecular formula of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid is C13H12N2O2.
What is the molecular weight of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid?
The molecular weight of 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid is 228.09 g/mol.
Where can I buy 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid?
You can request a quote for 3-[(Pyridin-3-ylmethyl)-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-[(Pyridin-3-ylmethyl)-amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.