N-benzyl-5-bromonicotinamide
TL;DR: N-benzyl-5-bromonicotinamide (CAS 80120-32-7) is a chemical compound with molecular formula C13H11BrN2O and molecular weight 290.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-bromopyridine-3-carboxamide
Also Known As: N-benzyl-5-bromonicotinamide, N-Benzyl-5-bromonicatinamide, N-benzyl-5-bromopyridine-3-carboxamide, N-benzyl-5-bromo-nicotinamide, Ethyl 3,4-dimethylbenzoylformate
| Molecular Formula | C13H11BrN2O |
|---|---|
| Molecular Weight | 290.01 g/mol |
| LogP | 2.7741 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.0055 |
| Heavy Atoms | 17 |
| Complexity | 513.8377 |
Chemical Identifiers
| CAS Number | 80120-32-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC(=CN=C2)Br |
Product Overview
N-benzyl-5-bromonicotinamide (CAS 80120-32-7), with molecular formula C13H11BrN2O and molecular weight 290.01 g/mol. IUPAC: N-benzyl-5-bromopyridine-3-carboxamide.
Chemical Property Profile of N-benzyl-5-bromonicotinamide
Property Insights of N-benzyl-5-bromonicotinamide
The XLogP value of 2.7741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-5-bromonicotinamide. With a topological polar surface area (TPSA) of 41.99 Ų, N-benzyl-5-bromonicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-5-bromonicotinamide 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-5-bromonicotinamide?
The CAS number of N-benzyl-5-bromonicotinamide is 80120-32-7.
What is the molecular formula of N-benzyl-5-bromonicotinamide?
The molecular formula of N-benzyl-5-bromonicotinamide is C13H11BrN2O.
What is the molecular weight of N-benzyl-5-bromonicotinamide?
The molecular weight of N-benzyl-5-bromonicotinamide is 290.01 g/mol.
Where can I buy N-benzyl-5-bromonicotinamide?
You can request a quote for N-benzyl-5-bromonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-5-bromonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-bromonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.