Bionet1_002066
TL;DR: Bionet1_002066 (CAS 477845-35-5) is a chemical compound with molecular formula C18H10F4N4O2 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carbonitrile
Also Known As: Bionet1_002066, 10L-912, 2-(4-Fluorophenyl)-3,5-dioxo-4-(4-(trifluoromethyl)benzyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 2-(4-fluorophenyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 2-(4-fluorophenyl)-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carbonitrile
| Molecular Formula | C18H10F4N4O2 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 2.47208 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.07397 |
| Heavy Atoms | 28 |
| Complexity | 1171.1733 |
Chemical Identifiers
| CAS Number | 477845-35-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=O)C(=NN(C2=O)C3=CC=C(C=C3)F)C#N)C(F)(F)F |
Product Overview
Bionet1_002066 (CAS 477845-35-5), with molecular formula C18H10F4N4O2 and molecular weight 390.07 g/mol. IUPAC: 2-(4-fluorophenyl)-3,5-dioxo-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carbonitrile.
Chemical Property Profile of Bionet1_002066
Property Insights of Bionet1_002066
The XLogP value of 2.47208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002066. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002066. Following Lipinski's Rule of Five, Bionet1_002066 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_002066?
The CAS number of Bionet1_002066 is 477845-35-5.
What is the molecular formula of Bionet1_002066?
The molecular formula of Bionet1_002066 is C18H10F4N4O2.
What is the molecular weight of Bionet1_002066?
The molecular weight of Bionet1_002066 is 390.07 g/mol.
Where can I buy Bionet1_002066?
You can request a quote for Bionet1_002066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002066?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.