![3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid structure](/static/products/6529/65295-58-1.webp)
3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid
TL;DR: 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid (CAS 65295-58-1) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(pyridin-3-ylmethylamino)benzoic acid
Also Known As: 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid, 3-Amino-4-((pyridin-3-ylmethyl)amino)benzoic acid, 3-amino-4-(pyridin-3-ylmethylamino)benzoic acid, CHEMBRDG-BB 6637326, 3-(4-Fluorophenoxy)benzyl Bromide
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 1.9741 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 555.4177 |
Chemical Identifiers
| CAS Number | 65295-58-1 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC2=C(C=C(C=C2)C(=O)O)N |
Product Overview
3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid (CAS 65295-58-1), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 3-amino-4-(pyridin-3-ylmethylamino)benzoic acid.
Chemical Property Profile of 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid
Property Insights of 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid
The XLogP value of 1.9741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid. Following Lipinski's Rule of Five, 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid has 3 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 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid?
The CAS number of 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid is 65295-58-1.
What is the molecular formula of 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid?
The molecular formula of 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid is C13H13N3O2.
What is the molecular weight of 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid?
The molecular weight of 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid is 243.10 g/mol.
Where can I buy 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid?
You can request a quote for 3-Amino-4-[(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-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-[(pyridin-3-ylmethyl)-amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.