Benzoic acid, o-isonicotinamido-, 1'-oxide
TL;DR: Benzoic acid, o-isonicotinamido-, 1'-oxide (CAS 62833-94-7) 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.
2-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoic acid
Also Known As: N-(2-Carboxyphenyl)isonicotinamide 1-oxide, BENZOIC ACID, o-ISONICOTINAMIDO-, 1'-OXIDE, Isonicotinamide, N-(o-carboxyphenyl)-, 1-oxide, IDI1_007996, 5-22-02-00278 (Beilstein Handbook Reference)
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.5 |
| 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 | 62833-94-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=[N+](C=C2)[O-] |
| InChIKey | AWBWYKBRAALUKU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-isonicotinamido-, 1'-oxide (CAS 62833-94-7), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 2-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, o-isonicotinamido-, 1'-oxide
Property Insights of Benzoic acid, o-isonicotinamido-, 1'-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, o-isonicotinamido-, 1'-oxide. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, o-isonicotinamido-, 1'-oxide. Following Lipinski's Rule of Five, Benzoic acid, o-isonicotinamido-, 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 Benzoic acid, o-isonicotinamido-, 1'-oxide?
The CAS number of Benzoic acid, o-isonicotinamido-, 1'-oxide is 62833-94-7.
What is the molecular formula of Benzoic acid, o-isonicotinamido-, 1'-oxide?
The molecular formula of Benzoic acid, o-isonicotinamido-, 1'-oxide is C13H10N2O4.
What is the molecular weight of Benzoic acid, o-isonicotinamido-, 1'-oxide?
The molecular weight of Benzoic acid, o-isonicotinamido-, 1'-oxide is 258.06 g/mol.
Where can I buy Benzoic acid, o-isonicotinamido-, 1'-oxide?
You can request a quote for Benzoic acid, o-isonicotinamido-, 1'-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-isonicotinamido-, 1'-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-isonicotinamido-, 1'-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.