Bionet1_002060
TL;DR: Bionet1_002060 (CAS 338791-63-2) is a chemical compound with molecular formula C18H14F6N4 and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trifluoromethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-2-carbonitrile
Also Known As: Bionet1_002060, 6G-011, 5-(trifluoromethyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyridine-2-carbonitrile, 5-(trifluoromethyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazino}-2-pyridinecarbonitrile, 5-(trifluoromethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-2-carbonitrile
| Molecular Formula | C18H14F6N4 |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 4.31748 |
| Topological Polar Surface Area | 43.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.11227 |
| Heavy Atoms | 28 |
| Complexity | 892.16956 |
Chemical Identifiers
| CAS Number | 338791-63-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(N=CC(=C3)C(F)(F)F)C#N |
Product Overview
Bionet1_002060 (CAS 338791-63-2), with molecular formula C18H14F6N4 and molecular weight 400.11 g/mol. IUPAC: 5-(trifluoromethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-2-carbonitrile.
Chemical Property Profile of Bionet1_002060
Property Insights of Bionet1_002060
The XLogP value of 4.31748 indicates that Bionet1_002060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.16 Ų, Bionet1_002060 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_002060 has 0 hydrogen bond donor(s) and 4 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_002060?
The CAS number of Bionet1_002060 is 338791-63-2.
What is the molecular formula of Bionet1_002060?
The molecular formula of Bionet1_002060 is C18H14F6N4.
What is the molecular weight of Bionet1_002060?
The molecular weight of Bionet1_002060 is 400.11 g/mol.
Where can I buy Bionet1_002060?
You can request a quote for Bionet1_002060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002060?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.