9E-406S
TL;DR: 9E-406S (CAS 338977-90-5) 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.
5-chloro-N-methyl-2-oxo-N-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 9E-406S, 5-Chloro-N-methyl-2-oxo-N-phenyl-1-(4-(trifluoromethyl)benzyl)-1,2-dihydro-3-pyridinecarboxamide, 5-chloro-N-methyl-2-oxo-N-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, 5-chloro-N-methyl-2-oxo-N-phenyl-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide, 5-chloro-N-methyl-2-oxo-N-phenyl-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
| Molecular Formula | C21H16ClF3N2O2 |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.8454 |
| Topological Polar Surface Area | 42.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.08524 |
| Heavy Atoms | 29 |
| Complexity | 1077.8206 |
Chemical Identifiers
| CAS Number | 338977-90-5 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)C2=CC(=CN(C2=O)CC3=CC=C(C=C3)C(F)(F)F)Cl |
Product Overview
9E-406S (CAS 338977-90-5), with molecular formula C21H16ClF3N2O2 and molecular weight 420.09 g/mol. IUPAC: 5-chloro-N-methyl-2-oxo-N-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 9E-406S
Property Insights of 9E-406S
The XLogP value of 4.8454 indicates that 9E-406S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.31 Ų, 9E-406S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-406S has 0 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 9E-406S?
The CAS number of 9E-406S is 338977-90-5.
What is the molecular formula of 9E-406S?
The molecular formula of 9E-406S is C21H16ClF3N2O2.
What is the molecular weight of 9E-406S?
The molecular weight of 9E-406S is 420.09 g/mol.
Where can I buy 9E-406S?
You can request a quote for 9E-406S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-406S?
Yes, KEHONG BIO provides custom synthesis services for 9E-406S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.