5F-401S
TL;DR: 5F-401S (CAS 400083-36-5) is a chemical compound with molecular formula C20H14BrF3N2O2 and molecular weight 450.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-oxo-N-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
Also Known As: 5F-401S, 5-bromo-2-oxo-N-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide, 5-bromo-2-oxo-N-phenyl-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide, 5-bromo-2-oxo-N-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
| Molecular Formula | C20H14BrF3N2O2 |
|---|---|
| Molecular Weight | 450.02 g/mol |
| LogP | 4.9302 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.01907 |
| Heavy Atoms | 28 |
| Complexity | 1063.0363 |
Chemical Identifiers
| CAS Number | 400083-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C2=CC(=CN(C2=O)CC3=CC(=CC=C3)C(F)(F)F)Br |
Product Overview
5F-401S (CAS 400083-36-5), with molecular formula C20H14BrF3N2O2 and molecular weight 450.02 g/mol. IUPAC: 5-bromo-2-oxo-N-phenyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
Chemical Property Profile of 5F-401S
Property Insights of 5F-401S
The XLogP value of 4.9302 indicates that 5F-401S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 5F-401S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5F-401S 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 5F-401S?
The CAS number of 5F-401S is 400083-36-5.
What is the molecular formula of 5F-401S?
The molecular formula of 5F-401S is C20H14BrF3N2O2.
What is the molecular weight of 5F-401S?
The molecular weight of 5F-401S is 450.02 g/mol.
Where can I buy 5F-401S?
You can request a quote for 5F-401S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5F-401S?
Yes, KEHONG BIO provides custom synthesis services for 5F-401S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.