![2-[(Pyridin-3-ylmethyl)amino]benzoic acid structure](/static/products/2827/282719-60-2.webp)
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
TL;DR: 2-[(Pyridin-3-ylmethyl)amino]benzoic acid (CAS 282719-60-2) 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.
2-(pyridin-3-ylmethylamino)benzoic acid
Also Known As: 2-[(pyridin-3-ylmethyl)amino]benzoic acid, 2-(pyridin-3-ylmethylamino)benzoic acid, 2-(3-pyridylmethylamino)benzoic acid, BAS 12419849, 2-[(3-pyridinylmethyl)amino]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 | 282719-60-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NCC2=CN=CC=C2 |
Product Overview
2-[(Pyridin-3-ylmethyl)amino]benzoic acid (CAS 282719-60-2), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 2-(pyridin-3-ylmethylamino)benzoic acid.
Chemical Property Profile of 2-[(Pyridin-3-ylmethyl)amino]benzoic acid
Property Insights of 2-[(Pyridin-3-ylmethyl)amino]benzoic acid
The XLogP value of 2.3919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Pyridin-3-ylmethyl)amino]benzoic acid. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Pyridin-3-ylmethyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(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 2-[(Pyridin-3-ylmethyl)amino]benzoic acid?
The CAS number of 2-[(Pyridin-3-ylmethyl)amino]benzoic acid is 282719-60-2.
What is the molecular formula of 2-[(Pyridin-3-ylmethyl)amino]benzoic acid?
The molecular formula of 2-[(Pyridin-3-ylmethyl)amino]benzoic acid is C13H12N2O2.
What is the molecular weight of 2-[(Pyridin-3-ylmethyl)amino]benzoic acid?
The molecular weight of 2-[(Pyridin-3-ylmethyl)amino]benzoic acid is 228.09 g/mol.
Where can I buy 2-[(Pyridin-3-ylmethyl)amino]benzoic acid?
You can request a quote for 2-[(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 2-[(Pyridin-3-ylmethyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Pyridin-3-ylmethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.