Clinacox
TL;DR: Clinacox (CAS 101831-37-2) is a chemical compound with molecular formula C17H9Cl3N4O2 and molecular weight 405.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-[2,6-dichloro-3-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile
Also Known As: Clinacox, DCZL, Diclazurilum [Latin], Diclazurilo [Spanish], Diclazuril [USAN:BAN:INN]
| Molecular Formula | C17H9Cl3N4O2 |
|---|---|
| Molecular Weight | 405.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.9791 |
| Heavy Atoms | 26 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 101831-37-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=C(C=CC(=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl |
| InChIKey | WDAVRQSUGQMBER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clinacox (CAS 101831-37-2), with molecular formula C17H9Cl3N4O2 and molecular weight 405.98 g/mol. IUPAC: 2-(4-chlorophenyl)-2-[2,6-dichloro-3-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile.
Chemical Property Profile of Clinacox
Property Insights of Clinacox
The XLogP value of 4.1 indicates that Clinacox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Clinacox. Following Lipinski's Rule of Five, Clinacox has 1 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 Clinacox?
The CAS number of Clinacox is 101831-37-2.
What is the molecular formula of Clinacox?
The molecular formula of Clinacox is C17H9Cl3N4O2.
What is the molecular weight of Clinacox?
The molecular weight of Clinacox is 405.98 g/mol.
Where can I buy Clinacox?
You can request a quote for Clinacox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clinacox?
Yes, KEHONG BIO provides custom synthesis services for Clinacox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.