N-(4-Carboxyphenyl)nicotinamide 1-oxide
TL;DR: N-(4-Carboxyphenyl)nicotinamide 1-oxide (CAS 62833-97-0) 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.
4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid
Also Known As: 3-[ carbamoyl]pyridine1-oxide, N-(4-Carboxyphenyl)nicotinamide 1-oxide, Benzoic acid, p-nicotinamido-, 1'-oxide, Nicotinamide, N-(p-carboxyphenyl)-, 1-oxide, IDI1_007482
| 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 | 340.0 |
Chemical Identifiers
| CAS Number | 62833-97-0 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])C(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | NOZXKPUFOWZECN-UHFFFAOYSA-N |
Product Overview
N-(4-Carboxyphenyl)nicotinamide 1-oxide (CAS 62833-97-0), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of N-(4-Carboxyphenyl)nicotinamide 1-oxide
Property Insights of N-(4-Carboxyphenyl)nicotinamide 1-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Carboxyphenyl)nicotinamide 1-oxide. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Carboxyphenyl)nicotinamide 1-oxide. Following Lipinski's Rule of Five, N-(4-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-(4-Carboxyphenyl)nicotinamide 1-oxide?
The CAS number of N-(4-Carboxyphenyl)nicotinamide 1-oxide is 62833-97-0.
What is the molecular formula of N-(4-Carboxyphenyl)nicotinamide 1-oxide?
The molecular formula of N-(4-Carboxyphenyl)nicotinamide 1-oxide is C13H10N2O4.
What is the molecular weight of N-(4-Carboxyphenyl)nicotinamide 1-oxide?
The molecular weight of N-(4-Carboxyphenyl)nicotinamide 1-oxide is 258.06 g/mol.
Where can I buy N-(4-Carboxyphenyl)nicotinamide 1-oxide?
You can request a quote for N-(4-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-(4-Carboxyphenyl)nicotinamide 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Carboxyphenyl)nicotinamide 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.