Bionet1_002116
TL;DR: Bionet1_002116 (CAS 672951-30-3) is a chemical compound with molecular formula C17H9ClF2N4O2 and molecular weight 374.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Also Known As: Bionet1_002116, 4-(4-chlorobenzyl)-2-(2,6-difluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 6K-920, 4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile, 4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
| Molecular Formula | C17H9ClF2N4O2 |
|---|---|
| Molecular Weight | 374.04 g/mol |
| LogP | 2.24578 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.0382 |
| Heavy Atoms | 26 |
| Complexity | 1127.1451 |
Chemical Identifiers
| CAS Number | 672951-30-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)N2C(=O)N(C(=O)C(=N2)C#N)CC3=CC=C(C=C3)Cl)F |
Product Overview
Bionet1_002116 (CAS 672951-30-3), with molecular formula C17H9ClF2N4O2 and molecular weight 374.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-(2,6-difluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
Chemical Property Profile of Bionet1_002116
Property Insights of Bionet1_002116
The XLogP value of 2.24578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_002116. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_002116. Following Lipinski's Rule of Five, Bionet1_002116 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_002116?
The CAS number of Bionet1_002116 is 672951-30-3.
What is the molecular formula of Bionet1_002116?
The molecular formula of Bionet1_002116 is C17H9ClF2N4O2.
What is the molecular weight of Bionet1_002116?
The molecular weight of Bionet1_002116 is 374.04 g/mol.
Where can I buy Bionet1_002116?
You can request a quote for Bionet1_002116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_002116?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_002116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.