9E-333S
TL;DR: 9E-333S (CAS 338977-45-0) is a chemical compound with molecular formula C20H13Cl2F3N2O2 and molecular weight 440.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dichlorophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 9E-333S, N-(2,3-Dichlorophenyl)-2-oxo-1-(4-(trifluoromethyl)benzyl)-1,2-dihydro-3-pyridinecarboxamide, N-(2,3-dichlorophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, N-(2,3-dichlorophenyl)-2-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide, N-(2,3-dichlorophenyl)-2-oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
| Molecular Formula | C20H13Cl2F3N2O2 |
|---|---|
| Molecular Weight | 440.03 g/mol |
| LogP | 5.4745 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0306 |
| Heavy Atoms | 29 |
| Complexity | 1109.9446 |
Chemical Identifiers
| CAS Number | 338977-45-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C2=CC=CN(C2=O)CC3=CC=C(C=C3)C(F)(F)F |
Product Overview
9E-333S (CAS 338977-45-0), with molecular formula C20H13Cl2F3N2O2 and molecular weight 440.03 g/mol. IUPAC: N-(2,3-dichlorophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 9E-333S
Property Insights of 9E-333S
The XLogP value of 5.4745 indicates that 9E-333S 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-333S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9E-333S 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-333S?
The CAS number of 9E-333S is 338977-45-0.
What is the molecular formula of 9E-333S?
The molecular formula of 9E-333S is C20H13Cl2F3N2O2.
What is the molecular weight of 9E-333S?
The molecular weight of 9E-333S is 440.03 g/mol.
Where can I buy 9E-333S?
You can request a quote for 9E-333S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9E-333S?
Yes, KEHONG BIO provides custom synthesis services for 9E-333S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.