![1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile structure](/static/products/3389/338964-48-0.webp)
1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile (CAS 338964-48-0) is a chemical compound with molecular formula C20H13F3N2O and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
Also Known As: Bionet1_001585, 1-benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile, 6J-550S, 1-benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile, 1-benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C20H13F3N2O |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.45408 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.098 |
| Heavy Atoms | 26 |
| Complexity | 1031.4025 |
Chemical Identifiers
| CAS Number | 338964-48-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile (CAS 338964-48-0), with molecular formula C20H13F3N2O and molecular weight 354.10 g/mol. IUPAC: 1-benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
Chemical Property Profile of 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 4.45408 indicates that 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile 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 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile is 338964-48-0.
What is the molecular formula of 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile is C20H13F3N2O.
What is the molecular weight of 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile is 354.10 g/mol.
Where can I buy 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.