2-(3-Methoxy-phenylamino)-nicotinic acid
TL;DR: 2-(3-Methoxy-phenylamino)-nicotinic acid (CAS 57978-47-9) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methoxyanilino)pyridine-3-carboxylic acid
Also Known As: 2-(3-Methoxy-phenylamino)-nicotinic acid, 6-bromo-hexanal, 2-((3-Methoxyphenyl)amino)nicotinic acid, 2-[(3-Methoxyphenyl)amino]nicotinic acid, 2-(3-methoxyanilino)pyridine-3-carboxylic acid
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 57978-47-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC2=C(C=CC=N2)C(=O)O |
| InChIKey | MLISMYSIFNNHFK-UHFFFAOYSA-N |
Product Overview
2-(3-Methoxy-phenylamino)-nicotinic acid (CAS 57978-47-9), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 2-(3-methoxyanilino)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-(3-Methoxy-phenylamino)-nicotinic acid
Property Insights of 2-(3-Methoxy-phenylamino)-nicotinic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methoxy-phenylamino)-nicotinic acid. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methoxy-phenylamino)-nicotinic acid. Following Lipinski's Rule of Five, 2-(3-Methoxy-phenylamino)-nicotinic acid has 2 hydrogen bond donor(s) and 5 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-(3-Methoxy-phenylamino)-nicotinic acid?
The CAS number of 2-(3-Methoxy-phenylamino)-nicotinic acid is 57978-47-9.
What is the molecular formula of 2-(3-Methoxy-phenylamino)-nicotinic acid?
The molecular formula of 2-(3-Methoxy-phenylamino)-nicotinic acid is C13H12N2O3.
What is the molecular weight of 2-(3-Methoxy-phenylamino)-nicotinic acid?
The molecular weight of 2-(3-Methoxy-phenylamino)-nicotinic acid is 244.08 g/mol.
Where can I buy 2-(3-Methoxy-phenylamino)-nicotinic acid?
You can request a quote for 2-(3-Methoxy-phenylamino)-nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methoxy-phenylamino)-nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxy-phenylamino)-nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.