![4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid structure](/static/products/476/476472-22-7.png)
4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid
TL;DR: 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid (CAS 476472-22-7) is a chemical compound with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(pyridin-4-ylmethylamino)benzoic acid
Also Known As: 4-Chloro-3-[(pyridin-4-ylmethyl)-amino]-benzoic acid, 4-Chloro-3-((pyridin-4-ylmethyl)amino)benzoic acid, 4-chloro-3-(pyridin-4-ylmethylamino)benzoic acid, ASN 12419847, 4-chloro-3-[(4-pyridinylmethyl)amino]benzoic acid
| Molecular Formula | C13H11ClN2O2 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 3.0453 |
| Topological Polar Surface Area | 62.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0509 |
| Heavy Atoms | 18 |
| Complexity | 558.1726 |
Chemical Identifiers
| CAS Number | 476472-22-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)NCC2=CC=NC=C2)Cl |
Product Overview
4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid (CAS 476472-22-7), with molecular formula C13H11ClN2O2 and molecular weight 262.05 g/mol. IUPAC: 4-chloro-3-(pyridin-4-ylmethylamino)benzoic acid.
Chemical Property Profile of 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid
Property Insights of 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid
The XLogP value of 3.0453 indicates that 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-[(4-pyridinylmethyl)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 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid?
The CAS number of 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid is 476472-22-7.
What is the molecular formula of 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid?
The molecular formula of 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid is C13H11ClN2O2.
What is the molecular weight of 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid?
The molecular weight of 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid is 262.05 g/mol.
Where can I buy 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid?
You can request a quote for 4-Chloro-3-[(4-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-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.