5E-345S
TL;DR: 5E-345S (CAS 338754-74-8) is a chemical compound with molecular formula C21H14F6N2O2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-N-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 5E-345S, 2-oxo-N-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, 2-oxo-1-[3-(trifluoromethyl)benzyl]-N-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarboxamide, 2-oxo-N-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
| Molecular Formula | C21H14F6N2O2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 5.1865 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.09595 |
| Heavy Atoms | 31 |
| Complexity | 1165.2621 |
Chemical Identifiers
| CAS Number | 338754-74-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C=CC=C(C2=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
5E-345S (CAS 338754-74-8), with molecular formula C21H14F6N2O2 and molecular weight 440.10 g/mol. IUPAC: 2-oxo-N-[3-(trifluoromethyl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 5E-345S
Property Insights of 5E-345S
The XLogP value of 5.1865 indicates that 5E-345S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 5E-345S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5E-345S 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 5E-345S?
The CAS number of 5E-345S is 338754-74-8.
What is the molecular formula of 5E-345S?
The molecular formula of 5E-345S is C21H14F6N2O2.
What is the molecular weight of 5E-345S?
The molecular weight of 5E-345S is 440.10 g/mol.
Where can I buy 5E-345S?
You can request a quote for 5E-345S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-345S?
Yes, KEHONG BIO provides custom synthesis services for 5E-345S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.