Chloroxynil
TL;DR: Chloroxynil (CAS 1891-95-8) is a chemical compound with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-4-hydroxybenzonitrile
Also Known As: Chloroxynil, 3,5-Dichloro-4-hydroxybenzonitrile, Chloroxynil [ISO], Benzonitrile, 3,5-dichloro-4-hydroxy-, Caswell No. 309A
| Molecular Formula | C7H3Cl2NO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.95917 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1891-95-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)O)Cl)C#N |
| InChIKey | YRSSHOVRSMQULE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloroxynil (CAS 1891-95-8), with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol. IUPAC: 3,5-dichloro-4-hydroxybenzonitrile.
Chemical Property Profile of Chloroxynil
Property Insights of Chloroxynil
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroxynil. With a topological polar surface area (TPSA) of 44.0 Ų, Chloroxynil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroxynil has 1 hydrogen bond donor(s) and 2 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 Chloroxynil?
The CAS number of Chloroxynil is 1891-95-8.
What is the molecular formula of Chloroxynil?
The molecular formula of Chloroxynil is C7H3Cl2NO.
What is the molecular weight of Chloroxynil?
The molecular weight of Chloroxynil is 186.96 g/mol.
Where can I buy Chloroxynil?
You can request a quote for Chloroxynil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroxynil?
Yes, KEHONG BIO provides custom synthesis services for Chloroxynil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.