6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide
TL;DR: 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide (CAS 680213-67-6) is a chemical compound with molecular formula C15H12ClF3N2O2 and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
Also Known As: 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide, 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
| Molecular Formula | C15H12ClF3N2O2 |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.6924 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.05392 |
| Heavy Atoms | 23 |
| Complexity | 702.85846 |
Chemical Identifiers
| CAS Number | 680213-67-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=O)C2=CN=C(C=C2C(F)(F)F)Cl |
Product Overview
6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide (CAS 680213-67-6), with molecular formula C15H12ClF3N2O2 and molecular weight 344.05 g/mol. IUPAC: 6-chloro-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
Chemical Property Profile of 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide
Property Insights of 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide
The XLogP value of 3.6924 indicates that 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide has 1 hydrogen bond donor(s) and 3 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 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide?
The CAS number of 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide is 680213-67-6.
What is the molecular formula of 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide?
The molecular formula of 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide is C15H12ClF3N2O2.
What is the molecular weight of 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide?
The molecular weight of 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide is 344.05 g/mol.
Where can I buy 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide?
You can request a quote for 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-N-(4-methoxybenzyl)-4-(trifluoromethyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.