Bionet1_004072
TL;DR: Bionet1_004072 (CAS 478081-40-2) is a chemical compound with molecular formula C19H13F3N2O2 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: Bionet1_004072, DivK1c_002568, 6-oxo-2-{4-[3-(trifluoromethyl)phenoxy]phenyl}-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, CDS1_001528, 8P-057
| Molecular Formula | C19H13F3N2O2 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 4.64238 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.09293 |
| Heavy Atoms | 26 |
| Complexity | 909.6169 |
Chemical Identifiers
| CAS Number | 478081-40-2 |
|---|---|
| SMILES | C1CC(=O)NC(=C1C#N)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(F)(F)F |
Product Overview
Bionet1_004072 (CAS 478081-40-2), with molecular formula C19H13F3N2O2 and molecular weight 358.09 g/mol. IUPAC: 2-oxo-6-[4-[3-(trifluoromethyl)phenoxy]phenyl]-3,4-dihydro-1H-pyridine-5-carbonitrile.
Chemical Property Profile of Bionet1_004072
Property Insights of Bionet1_004072
The XLogP value of 4.64238 indicates that Bionet1_004072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004072. Following Lipinski's Rule of Five, Bionet1_004072 has 1 hydrogen bond donor(s) and 3 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_004072?
The CAS number of Bionet1_004072 is 478081-40-2.
What is the molecular formula of Bionet1_004072?
The molecular formula of Bionet1_004072 is C19H13F3N2O2.
What is the molecular weight of Bionet1_004072?
The molecular weight of Bionet1_004072 is 358.09 g/mol.
Where can I buy Bionet1_004072?
You can request a quote for Bionet1_004072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004072?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.