4-Hydroxy-2,5,6-trichloroisophthalonitrile
TL;DR: 4-Hydroxy-2,5,6-trichloroisophthalonitrile (CAS 28343-61-5) is a chemical compound with molecular formula C8HCl3N2O and molecular weight 245.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile
Also Known As: Hydroxy Chlorothalonil, hydroxychlorothalonil, 4-hydroxychlorothalonil, 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile, 4-Hydroxy-2,5,6-trichloroisophthalonitrile
| Molecular Formula | C8HCl3N2O |
|---|---|
| Molecular Weight | 245.92 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.91545 |
| Heavy Atoms | 14 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 28343-61-5 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O |
| InChIKey | MDQKYGOECVSPIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2,5,6-trichloroisophthalonitrile (CAS 28343-61-5), with molecular formula C8HCl3N2O and molecular weight 245.92 g/mol. IUPAC: 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile.
Chemical Property Profile of 4-Hydroxy-2,5,6-trichloroisophthalonitrile
Property Insights of 4-Hydroxy-2,5,6-trichloroisophthalonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2,5,6-trichloroisophthalonitrile. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2,5,6-trichloroisophthalonitrile. Following Lipinski's Rule of Five, 4-Hydroxy-2,5,6-trichloroisophthalonitrile has 1 hydrogen bond donor(s) and 3 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 4-Hydroxy-2,5,6-trichloroisophthalonitrile?
The CAS number of 4-Hydroxy-2,5,6-trichloroisophthalonitrile is 28343-61-5.
What is the molecular formula of 4-Hydroxy-2,5,6-trichloroisophthalonitrile?
The molecular formula of 4-Hydroxy-2,5,6-trichloroisophthalonitrile is C8HCl3N2O.
What is the molecular weight of 4-Hydroxy-2,5,6-trichloroisophthalonitrile?
The molecular weight of 4-Hydroxy-2,5,6-trichloroisophthalonitrile is 245.92 g/mol.
Where can I buy 4-Hydroxy-2,5,6-trichloroisophthalonitrile?
You can request a quote for 4-Hydroxy-2,5,6-trichloroisophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2,5,6-trichloroisophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2,5,6-trichloroisophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.