N-benzylisonicotinamide 1-oxide
TL;DR: N-benzylisonicotinamide 1-oxide (CAS 100724-08-1) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1-oxidopyridin-1-ium-4-carboxamide
Also Known As: N-Benzyl-1-oxy-isonicotinamide, N-benzylisonicotinamide 1-oxide, IFLab1_005021, 4-(benzylcarbamoyl)pyridine 1-oxide, N-benzyl-1-oxidopyridin-1-ium-4-carboxamide
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 1.25 |
| Topological Polar Surface Area | 56.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 494.58774 |
Chemical Identifiers
| CAS Number | 100724-08-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)[O-] |
Product Overview
N-benzylisonicotinamide 1-oxide (CAS 100724-08-1), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: N-benzyl-1-oxidopyridin-1-ium-4-carboxamide.
Chemical Property Profile of N-benzylisonicotinamide 1-oxide
Property Insights of N-benzylisonicotinamide 1-oxide
The XLogP value of 1.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzylisonicotinamide 1-oxide. With a topological polar surface area (TPSA) of 56.04 Ų, N-benzylisonicotinamide 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzylisonicotinamide 1-oxide has 1 hydrogen bond donor(s) and 2 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-benzylisonicotinamide 1-oxide?
The CAS number of N-benzylisonicotinamide 1-oxide is 100724-08-1.
What is the molecular formula of N-benzylisonicotinamide 1-oxide?
The molecular formula of N-benzylisonicotinamide 1-oxide is C13H12N2O2.
What is the molecular weight of N-benzylisonicotinamide 1-oxide?
The molecular weight of N-benzylisonicotinamide 1-oxide is 228.09 g/mol.
Where can I buy N-benzylisonicotinamide 1-oxide?
You can request a quote for N-benzylisonicotinamide 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-benzylisonicotinamide 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for N-benzylisonicotinamide 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.