N-(3-Carboxyphenyl)nicotinamide 1-oxide
TL;DR: N-(3-Carboxyphenyl)nicotinamide 1-oxide (CAS 62833-95-8) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
Also Known As: N-(3-Carboxyphenyl)nicotinamide 1-oxide, Benzoic acid, m-nicotinamido-, 1'-oxide, Nicotinamide, N-(m-carboxyphenyl)-, 1-oxide, 3-((3-Pyridinylcarbonyl)amino)benzoic acid N-oxide, 5-22-02-00141 (Beilstein Handbook Reference)
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 62833-95-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=C[N+](=CC=C2)[O-])C(=O)O |
| InChIKey | QNLBGYALRQFXIA-UHFFFAOYSA-N |
Product Overview
N-(3-Carboxyphenyl)nicotinamide 1-oxide (CAS 62833-95-8), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 3-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of N-(3-Carboxyphenyl)nicotinamide 1-oxide
Property Insights of N-(3-Carboxyphenyl)nicotinamide 1-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Carboxyphenyl)nicotinamide 1-oxide. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Carboxyphenyl)nicotinamide 1-oxide. Following Lipinski's Rule of Five, N-(3-Carboxyphenyl)nicotinamide 1-oxide has 2 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 N-(3-Carboxyphenyl)nicotinamide 1-oxide?
The CAS number of N-(3-Carboxyphenyl)nicotinamide 1-oxide is 62833-95-8.
What is the molecular formula of N-(3-Carboxyphenyl)nicotinamide 1-oxide?
The molecular formula of N-(3-Carboxyphenyl)nicotinamide 1-oxide is C13H10N2O4.
What is the molecular weight of N-(3-Carboxyphenyl)nicotinamide 1-oxide?
The molecular weight of N-(3-Carboxyphenyl)nicotinamide 1-oxide is 258.06 g/mol.
Where can I buy N-(3-Carboxyphenyl)nicotinamide 1-oxide?
You can request a quote for N-(3-Carboxyphenyl)nicotinamide 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Carboxyphenyl)nicotinamide 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Carboxyphenyl)nicotinamide 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.