Bionet1_001667
TL;DR: Bionet1_001667 (CAS 338964-97-9) is a chemical compound with molecular formula C21H15F3N2O and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
Also Known As: Bionet1_001667, 6J-590S, 5-(4-methylphenyl)-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarbonitrile, 5-(4-methylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile, 5-(4-methylphenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C21H15F3N2O |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 4.7625 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.11365 |
| Heavy Atoms | 27 |
| Complexity | 1074.3065 |
Chemical Identifiers
| CAS Number | 338964-97-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN(C(=O)C(=C2)C#N)CC3=CC(=CC=C3)C(F)(F)F |
Product Overview
Bionet1_001667 (CAS 338964-97-9), with molecular formula C21H15F3N2O and molecular weight 368.11 g/mol. IUPAC: 5-(4-methylphenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile.
Chemical Property Profile of Bionet1_001667
Property Insights of Bionet1_001667
The XLogP value of 4.7625 indicates that Bionet1_001667 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, Bionet1_001667 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_001667 has 0 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 Bionet1_001667?
The CAS number of Bionet1_001667 is 338964-97-9.
What is the molecular formula of Bionet1_001667?
The molecular formula of Bionet1_001667 is C21H15F3N2O.
What is the molecular weight of Bionet1_001667?
The molecular weight of Bionet1_001667 is 368.11 g/mol.
Where can I buy Bionet1_001667?
You can request a quote for Bionet1_001667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001667?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.