7E-313S
TL;DR: 7E-313S (CAS 339008-66-1) is a chemical compound with molecular formula C20H13F5N2O2 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 7E-313S, F2744-2046, VU0495573-1, N-(2,4-difluorophenyl)-6-oxo-1-{[4-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide, N-(2,4-Difluorophenyl)-6-oxo-1-(4-(trifluoromethyl)benzyl)-1,6-dihydro-3-pyridinecarboxamide
| Molecular Formula | C20H13F5N2O2 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 4.4459 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.08972 |
| Heavy Atoms | 29 |
| Complexity | 1105.0898 |
Chemical Identifiers
| CAS Number | 339008-66-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F |
Product Overview
7E-313S (CAS 339008-66-1), with molecular formula C20H13F5N2O2 and molecular weight 408.09 g/mol. IUPAC: N-(2,4-difluorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 7E-313S
Property Insights of 7E-313S
The XLogP value of 4.4459 indicates that 7E-313S 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-313S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7E-313S 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-313S?
The CAS number of 7E-313S is 339008-66-1.
What is the molecular formula of 7E-313S?
The molecular formula of 7E-313S is C20H13F5N2O2.
What is the molecular weight of 7E-313S?
The molecular weight of 7E-313S is 408.09 g/mol.
Where can I buy 7E-313S?
You can request a quote for 7E-313S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7E-313S?
Yes, KEHONG BIO provides custom synthesis services for 7E-313S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.