N-Benzyl-6-chloro-nicotinamide
TL;DR: N-Benzyl-6-chloro-nicotinamide (CAS 224817-12-3) is a chemical compound with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-chloropyridine-3-carboxamide
Also Known As: N-Benzyl-6-chloro-nicotinamide, n-benzyl-6-chloronicotinamide, N-benzyl-6-chloropyridine-3-carboxamide, BAS 05914684, N-Benzyl(6-chloro-3-pyridyl)formamide
| Molecular Formula | C13H11ClN2O |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.665 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.05598 |
| Heavy Atoms | 17 |
| Complexity | 496.58774 |
Chemical Identifiers
| CAS Number | 224817-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2)Cl |
Product Overview
N-Benzyl-6-chloro-nicotinamide (CAS 224817-12-3), with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol. IUPAC: N-benzyl-6-chloropyridine-3-carboxamide.
Chemical Property Profile of N-Benzyl-6-chloro-nicotinamide
Property Insights of N-Benzyl-6-chloro-nicotinamide
The XLogP value of 2.665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-6-chloro-nicotinamide. With a topological polar surface area (TPSA) of 41.99 Ų, N-Benzyl-6-chloro-nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-6-chloro-nicotinamide 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-Benzyl-6-chloro-nicotinamide?
The CAS number of N-Benzyl-6-chloro-nicotinamide is 224817-12-3.
What is the molecular formula of N-Benzyl-6-chloro-nicotinamide?
The molecular formula of N-Benzyl-6-chloro-nicotinamide is C13H11ClN2O.
What is the molecular weight of N-Benzyl-6-chloro-nicotinamide?
The molecular weight of N-Benzyl-6-chloro-nicotinamide is 246.06 g/mol.
Where can I buy N-Benzyl-6-chloro-nicotinamide?
You can request a quote for N-Benzyl-6-chloro-nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-6-chloro-nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-6-chloro-nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.