Bionet1_002114
TL;DR: Bionet1_002114 (CAS 672951-28-9) is a chemical compound with molecular formula C17H10ClFN4O2 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Also Known As: Bionet1_002114, 6K-914, 4-(4-chlorobenzyl)-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 4-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile, 4-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
| Molecular Formula | C17H10ClFN4O2 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 2.10668 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.04764 |
| Heavy Atoms | 25 |
| Complexity | 1080.1063 |
Chemical Identifiers
| CAS Number | 672951-28-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=O)C(=NN(C2=O)C3=CC=C(C=C3)F)C#N)Cl |
Product Overview
Bionet1_002114 (CAS 672951-28-9), with molecular formula C17H10ClFN4O2 and molecular weight 356.05 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
Chemical Property Profile of Bionet1_002114
Property Insights of Bionet1_002114
The XLogP value of 2.10668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002114. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002114. Following Lipinski's Rule of Five, Bionet1_002114 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_002114?
The CAS number of Bionet1_002114 is 672951-28-9.
What is the molecular formula of Bionet1_002114?
The molecular formula of Bionet1_002114 is C17H10ClFN4O2.
What is the molecular weight of Bionet1_002114?
The molecular weight of Bionet1_002114 is 356.05 g/mol.
Where can I buy Bionet1_002114?
You can request a quote for Bionet1_002114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002114?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.