6E-322S
TL;DR: 6E-322S (CAS 338781-90-1) is a chemical compound with molecular formula C21H12F8N2O2 and molecular weight 476.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
Also Known As: 6E-322S, 1-(3,5-Bis(trifluoromethyl)benzyl)-N-(2,4-difluorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide, 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide, 1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-N-(2,4-difluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide, 1-[3,5-bis(trifluoromethyl)benzyl]-N-(2,4-difluorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
| Molecular Formula | C21H12F8N2O2 |
|---|---|
| Molecular Weight | 476.08 g/mol |
| LogP | 5.4647 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.07712 |
| Heavy Atoms | 33 |
| Complexity | 1230.0902 |
Chemical Identifiers
| CAS Number | 338781-90-1 |
|---|---|
| SMILES | C1=CN(C(=O)C(=C1)C(=O)NC2=C(C=C(C=C2)F)F)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
Product Overview
6E-322S (CAS 338781-90-1), with molecular formula C21H12F8N2O2 and molecular weight 476.08 g/mol. IUPAC: 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide.
Chemical Property Profile of 6E-322S
Property Insights of 6E-322S
The XLogP value of 5.4647 indicates that 6E-322S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 6E-322S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6E-322S 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 6E-322S?
The CAS number of 6E-322S is 338781-90-1.
What is the molecular formula of 6E-322S?
The molecular formula of 6E-322S is C21H12F8N2O2.
What is the molecular weight of 6E-322S?
The molecular weight of 6E-322S is 476.08 g/mol.
Where can I buy 6E-322S?
You can request a quote for 6E-322S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6E-322S?
Yes, KEHONG BIO provides custom synthesis services for 6E-322S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.