7E-314S
TL;DR: 7E-314S (CAS 339008-67-2) 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.
N-(4-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 7E-314S, N-(4-Chlorophenyl)-6-oxo-1-(4-(trifluoromethyl)benzyl)-1,6-dihydro-3-pyridinecarboxamide, N-(4-chlorophenyl)-6-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide, N-(4-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, N-(4-chlorophenyl)-6-oxo-1-[4-(trifluoromethyl)benzyl]-1,6-dihydro-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 | 1042.7863 |
Chemical Identifiers
| CAS Number | 339008-67-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=CC=C(C=C3)Cl)C(F)(F)F |
Product Overview
7E-314S (CAS 339008-67-2), with molecular formula C20H14ClF3N2O2 and molecular weight 406.07 g/mol. IUPAC: N-(4-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 7E-314S
Property Insights of 7E-314S
The XLogP value of 4.8211 indicates that 7E-314S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 7E-314S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7E-314S 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 7E-314S?
The CAS number of 7E-314S is 339008-67-2.
What is the molecular formula of 7E-314S?
The molecular formula of 7E-314S is C20H14ClF3N2O2.
What is the molecular weight of 7E-314S?
The molecular weight of 7E-314S is 406.07 g/mol.
Where can I buy 7E-314S?
You can request a quote for 7E-314S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7E-314S?
Yes, KEHONG BIO provides custom synthesis services for 7E-314S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.