4-((3-Pyridinylmethyl)amino)benzoic acid
TL;DR: 4-((3-Pyridinylmethyl)amino)benzoic acid (CAS 5966-19-8) 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.
4-(pyridin-3-ylmethylamino)benzoic acid
Also Known As: 4-( benzoicacid, 4-3-Pmaba, 4-[(Pyridin-3-ylmethyl)-amino]-benzoic acid, 4-((pyridin-3-ylmethyl)amino)benzoic acid, ChemDiv3_015030
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 5966-19-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC2=CC=C(C=C2)C(=O)O |
| InChIKey | ZLMNETCOHNPJOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((3-Pyridinylmethyl)amino)benzoic acid (CAS 5966-19-8), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 4-(pyridin-3-ylmethylamino)benzoic acid.
Chemical Property Profile of 4-((3-Pyridinylmethyl)amino)benzoic acid
Property Insights of 4-((3-Pyridinylmethyl)amino)benzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-Pyridinylmethyl)amino)benzoic acid. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-Pyridinylmethyl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((3-Pyridinylmethyl)amino)benzoic acid has 2 hydrogen bond donor(s) and 4 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 4-((3-Pyridinylmethyl)amino)benzoic acid?
The CAS number of 4-((3-Pyridinylmethyl)amino)benzoic acid is 5966-19-8.
What is the molecular formula of 4-((3-Pyridinylmethyl)amino)benzoic acid?
The molecular formula of 4-((3-Pyridinylmethyl)amino)benzoic acid is C13H12N2O2.
What is the molecular weight of 4-((3-Pyridinylmethyl)amino)benzoic acid?
The molecular weight of 4-((3-Pyridinylmethyl)amino)benzoic acid is 228.09 g/mol.
Where can I buy 4-((3-Pyridinylmethyl)amino)benzoic acid?
You can request a quote for 4-((3-Pyridinylmethyl)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 4-((3-Pyridinylmethyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Pyridinylmethyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.