3-((Pyridin-4-ylmethylene)amino)benzoic acid
TL;DR: 3-((Pyridin-4-ylmethylene)amino)benzoic acid (CAS 869946-85-0) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyridin-4-ylmethylideneamino)benzoic acid
Also Known As: 3-[(E)-4-Pyridylmethyleneamino]benzoic acid, 3-((Pyridin-4-ylmethylene)amino)benzoic acid, J3.582.234H, 3-[(E)-[(pyridin-4-yl)methylidene]amino]benzoic acid
| Molecular Formula | C13H10N2O2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.5304 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.07423 |
| Heavy Atoms | 17 |
| Complexity | 550.3557 |
Chemical Identifiers
| CAS Number | 869946-85-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=CC=NC=C2)C(=O)O |
Product Overview
3-((Pyridin-4-ylmethylene)amino)benzoic acid (CAS 869946-85-0), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: 3-(pyridin-4-ylmethylideneamino)benzoic acid.
Chemical Property Profile of 3-((Pyridin-4-ylmethylene)amino)benzoic acid
Property Insights of 3-((Pyridin-4-ylmethylene)amino)benzoic acid
The XLogP value of 2.5304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Pyridin-4-ylmethylene)amino)benzoic acid. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Pyridin-4-ylmethylene)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((Pyridin-4-ylmethylene)amino)benzoic acid has 1 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-4-ylmethylene)amino)benzoic acid?
The CAS number of 3-((Pyridin-4-ylmethylene)amino)benzoic acid is 869946-85-0.
What is the molecular formula of 3-((Pyridin-4-ylmethylene)amino)benzoic acid?
The molecular formula of 3-((Pyridin-4-ylmethylene)amino)benzoic acid is C13H10N2O2.
What is the molecular weight of 3-((Pyridin-4-ylmethylene)amino)benzoic acid?
The molecular weight of 3-((Pyridin-4-ylmethylene)amino)benzoic acid is 226.07 g/mol.
Where can I buy 3-((Pyridin-4-ylmethylene)amino)benzoic acid?
You can request a quote for 3-((Pyridin-4-ylmethylene)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-4-ylmethylene)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((Pyridin-4-ylmethylene)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.