9E-332S
TL;DR: 9E-332S (CAS 338977-44-9) is a chemical compound with molecular formula C16H14ClF3N2O2 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 9E-332S, N-(2-chloroethyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, N-(2-chloroethyl)-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide, N-(2-chloroethyl)-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
| Molecular Formula | C16H14ClF3N2O2 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.884 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.06958 |
| Heavy Atoms | 24 |
| Complexity | 770.1274 |
Chemical Identifiers
| CAS Number | 338977-44-9 |
|---|---|
| SMILES | C1=CN(C(=O)C(=C1)C(=O)NCCCl)CC2=CC=C(C=C2)C(F)(F)F |
Product Overview
9E-332S (CAS 338977-44-9), with molecular formula C16H14ClF3N2O2 and molecular weight 358.07 g/mol. IUPAC: N-(2-chloroethyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 9E-332S
Property Insights of 9E-332S
The XLogP value of 2.884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9E-332S. With a topological polar surface area (TPSA) of 51.1 Ų, 9E-332S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-332S 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-332S?
The CAS number of 9E-332S is 338977-44-9.
What is the molecular formula of 9E-332S?
The molecular formula of 9E-332S is C16H14ClF3N2O2.
What is the molecular weight of 9E-332S?
The molecular weight of 9E-332S is 358.07 g/mol.
Where can I buy 9E-332S?
You can request a quote for 9E-332S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-332S?
Yes, KEHONG BIO provides custom synthesis services for 9E-332S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.