6-Phenylcarbamoyl-nicotinic acid methyl ester
TL;DR: 6-Phenylcarbamoyl-nicotinic acid methyl ester (CAS 117517-48-3) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(phenylcarbamoyl)pyridine-3-carboxylate
Also Known As: 6-Phenylcarbamoyl-nicotinic acid methyl ester, methyl 6-(phenylcarbamoyl)pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 6-[(phenylamino)carbonyl]-, methyl ester
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.1205 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 579.3999 |
Chemical Identifiers
| CAS Number | 117517-48-3 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC=CC=C2 |
Product Overview
6-Phenylcarbamoyl-nicotinic acid methyl ester (CAS 117517-48-3), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: methyl 6-(phenylcarbamoyl)pyridine-3-carboxylate.
Chemical Property Profile of 6-Phenylcarbamoyl-nicotinic acid methyl ester
Property Insights of 6-Phenylcarbamoyl-nicotinic acid methyl ester
The XLogP value of 2.1205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenylcarbamoyl-nicotinic acid methyl ester. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Phenylcarbamoyl-nicotinic acid methyl ester. Following Lipinski's Rule of Five, 6-Phenylcarbamoyl-nicotinic acid methyl ester has 1 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 6-Phenylcarbamoyl-nicotinic acid methyl ester?
The CAS number of 6-Phenylcarbamoyl-nicotinic acid methyl ester is 117517-48-3.
What is the molecular formula of 6-Phenylcarbamoyl-nicotinic acid methyl ester?
The molecular formula of 6-Phenylcarbamoyl-nicotinic acid methyl ester is C14H12N2O3.
What is the molecular weight of 6-Phenylcarbamoyl-nicotinic acid methyl ester?
The molecular weight of 6-Phenylcarbamoyl-nicotinic acid methyl ester is 256.08 g/mol.
Where can I buy 6-Phenylcarbamoyl-nicotinic acid methyl ester?
You can request a quote for 6-Phenylcarbamoyl-nicotinic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenylcarbamoyl-nicotinic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenylcarbamoyl-nicotinic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.