6E-336S
TL;DR: 6E-336S (CAS 338782-35-7) is a chemical compound with molecular formula C21H16ClF3N2O2 and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 6E-336S, N-(4-Chlorobenzyl)-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydro-3-pyridinecarboxamide, N-[(4-chlorophenyl)methyl]-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, N-[(4-chlorophenyl)methyl]-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide, N-(4-chlorobenzyl)-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
| Molecular Formula | C21H16ClF3N2O2 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.4988 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.08524 |
| Heavy Atoms | 29 |
| Complexity | 1059.0245 |
Chemical Identifiers
| CAS Number | 338782-35-7 |
|---|---|
| SMILES | C1=CN(C(=O)C(=C1)C(=O)NCC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)C(F)(F)F |
Product Overview
6E-336S (CAS 338782-35-7), with molecular formula C21H16ClF3N2O2 and molecular weight 420.09 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 6E-336S
Property Insights of 6E-336S
The XLogP value of 4.4988 indicates that 6E-336S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 6E-336S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6E-336S 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 6E-336S?
The CAS number of 6E-336S is 338782-35-7.
What is the molecular formula of 6E-336S?
The molecular formula of 6E-336S is C21H16ClF3N2O2.
What is the molecular weight of 6E-336S?
The molecular weight of 6E-336S is 420.09 g/mol.
Where can I buy 6E-336S?
You can request a quote for 6E-336S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-336S?
Yes, KEHONG BIO provides custom synthesis services for 6E-336S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.