N3-(3,4-dichlorobenzyl)-2-chloronicotinamide
TL;DR: N3-(3,4-dichlorobenzyl)-2-chloronicotinamide (CAS 540529-98-4) is a chemical compound with molecular formula C13H9Cl3N2O and molecular weight 313.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[(3,4-dichlorophenyl)methyl]pyridine-3-carboxamide
Also Known As: N3-(3,4-dichlorobenzyl)-2-chloronicotinamide, 2-chloro-N-(3,4-dichlorobenzyl)nicotinamide, 2-chloro-N-(3,4-dichlorobenzyl)pyridine-3-carboxamide, 2-chloro-N-[(3,4-dichlorophenyl)methyl]pyridine-3-carboxamide
| Molecular Formula | C13H9Cl3N2O |
|---|---|
| Molecular Weight | 313.98 g/mol |
| LogP | 3.9718 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.97806 |
| Heavy Atoms | 19 |
| Complexity | 616.58734 |
Chemical Identifiers
| CAS Number | 540529-98-4 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)C(=O)NCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
N3-(3,4-dichlorobenzyl)-2-chloronicotinamide (CAS 540529-98-4), with molecular formula C13H9Cl3N2O and molecular weight 313.98 g/mol. IUPAC: 2-chloro-N-[(3,4-dichlorophenyl)methyl]pyridine-3-carboxamide.
Chemical Property Profile of N3-(3,4-dichlorobenzyl)-2-chloronicotinamide
Property Insights of N3-(3,4-dichlorobenzyl)-2-chloronicotinamide
The XLogP value of 3.9718 indicates that N3-(3,4-dichlorobenzyl)-2-chloronicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N3-(3,4-dichlorobenzyl)-2-chloronicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N3-(3,4-dichlorobenzyl)-2-chloronicotinamide 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 N3-(3,4-dichlorobenzyl)-2-chloronicotinamide?
The CAS number of N3-(3,4-dichlorobenzyl)-2-chloronicotinamide is 540529-98-4.
What is the molecular formula of N3-(3,4-dichlorobenzyl)-2-chloronicotinamide?
The molecular formula of N3-(3,4-dichlorobenzyl)-2-chloronicotinamide is C13H9Cl3N2O.
What is the molecular weight of N3-(3,4-dichlorobenzyl)-2-chloronicotinamide?
The molecular weight of N3-(3,4-dichlorobenzyl)-2-chloronicotinamide is 313.98 g/mol.
Where can I buy N3-(3,4-dichlorobenzyl)-2-chloronicotinamide?
You can request a quote for N3-(3,4-dichlorobenzyl)-2-chloronicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N3-(3,4-dichlorobenzyl)-2-chloronicotinamide?
Yes, KEHONG BIO provides custom synthesis services for N3-(3,4-dichlorobenzyl)-2-chloronicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.