9E-351S
TL;DR: 9E-351S (CAS 338977-52-9) is a chemical compound with molecular formula C20H14ClF3N2O2 and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-oxo-N-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 9E-351S, 5-chloro-2-oxo-N-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, 5-chloro-2-oxo-N-phenyl-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide, 5-chloro-2-oxo-N-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide, 5-Chloro-1,2-dihydro-2-oxo-N-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide
| Molecular Formula | C20H14ClF3N2O2 |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 4.8211 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.06958 |
| Heavy Atoms | 28 |
| Complexity | 1063.0363 |
Chemical Identifiers
| CAS Number | 338977-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC(=CN(C2=O)CC3=CC(=CC=C3)C(F)(F)F)Cl |
Product Overview
9E-351S (CAS 338977-52-9), with molecular formula C20H14ClF3N2O2 and molecular weight 406.07 g/mol. IUPAC: 5-chloro-2-oxo-N-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 9E-351S
Property Insights of 9E-351S
The XLogP value of 4.8211 indicates that 9E-351S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 9E-351S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-351S 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 9E-351S?
The CAS number of 9E-351S is 338977-52-9.
What is the molecular formula of 9E-351S?
The molecular formula of 9E-351S is C20H14ClF3N2O2.
What is the molecular weight of 9E-351S?
The molecular weight of 9E-351S is 406.07 g/mol.
Where can I buy 9E-351S?
You can request a quote for 9E-351S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-351S?
Yes, KEHONG BIO provides custom synthesis services for 9E-351S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.