9E-392S
TL;DR: 9E-392S (CAS 338977-80-3) is a chemical compound with molecular formula C21H16ClF3N2O3 and molecular weight 436.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(4-methoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 9E-392S, 5-Chloro-N-(4-methoxyphenyl)-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydro-3-pyridinecarboxamide, 5-chloro-N-(4-methoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, 5-chloro-N-(4-methoxyphenyl)-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide, 5-chloro-N-(4-methoxyphenyl)-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
| Molecular Formula | C21H16ClF3N2O3 |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 4.8297 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.08017 |
| Heavy Atoms | 30 |
| Complexity | 1108.3259 |
Chemical Identifiers
| CAS Number | 338977-80-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2=CC(=CN(C2=O)CC3=CC=C(C=C3)C(F)(F)F)Cl |
Product Overview
9E-392S (CAS 338977-80-3), with molecular formula C21H16ClF3N2O3 and molecular weight 436.08 g/mol. IUPAC: 5-chloro-N-(4-methoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 9E-392S
Property Insights of 9E-392S
The XLogP value of 4.8297 indicates that 9E-392S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 9E-392S. Following Lipinski's Rule of Five, 9E-392S 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 9E-392S?
The CAS number of 9E-392S is 338977-80-3.
What is the molecular formula of 9E-392S?
The molecular formula of 9E-392S is C21H16ClF3N2O3.
What is the molecular weight of 9E-392S?
The molecular weight of 9E-392S is 436.08 g/mol.
Where can I buy 9E-392S?
You can request a quote for 9E-392S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-392S?
Yes, KEHONG BIO provides custom synthesis services for 9E-392S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.