9E-394S
TL;DR: 9E-394S (CAS 338977-82-5) is a chemical compound with molecular formula C20H12ClF5N2O2 and molecular weight 442.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(2,4-difluorophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 9E-394S, 5-Chloro-N-(2,4-difluorophenyl)-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydro-3-pyridinecarboxamide, 5-chloro-N-(2,4-difluorophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, 5-chloro-N-(2,4-difluorophenyl)-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide, 5-chloro-N-(2,4-difluorophenyl)-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
| Molecular Formula | C20H12ClF5N2O2 |
|---|---|
| Molecular Weight | 442.05 g/mol |
| LogP | 5.0993 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.05075 |
| Heavy Atoms | 30 |
| Complexity | 1157.3389 |
Chemical Identifiers
| CAS Number | 338977-82-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C=C(C2=O)C(=O)NC3=C(C=C(C=C3)F)F)Cl)C(F)(F)F |
Product Overview
9E-394S (CAS 338977-82-5), with molecular formula C20H12ClF5N2O2 and molecular weight 442.05 g/mol. IUPAC: 5-chloro-N-(2,4-difluorophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 9E-394S
Property Insights of 9E-394S
The XLogP value of 5.0993 indicates that 9E-394S 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-394S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-394S has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9E-394S?
The CAS number of 9E-394S is 338977-82-5.
What is the molecular formula of 9E-394S?
The molecular formula of 9E-394S is C20H12ClF5N2O2.
What is the molecular weight of 9E-394S?
The molecular weight of 9E-394S is 442.05 g/mol.
Where can I buy 9E-394S?
You can request a quote for 9E-394S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-394S?
Yes, KEHONG BIO provides custom synthesis services for 9E-394S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.