Hexachlorodiphenyloxide
TL;DR: Hexachlorodiphenyloxide (CAS 71585-39-2) is a chemical compound with molecular formula C12H4Cl6O and molecular weight 373.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-4-(2,3,4-trichlorophenoxy)benzene
Also Known As: Hexachlorodiphenyloxide, Ether, hexachlorophenyl, Hexachlorodiphenyl ether, Hexachlorodiphenyl oxide, methyl pentyl sulfite
| Molecular Formula | C12H4Cl6O |
|---|---|
| Molecular Weight | 373.84 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.8364 |
| Heavy Atoms | 19 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 71585-39-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | ATIMVMORQPKRPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexachlorodiphenyloxide (CAS 71585-39-2), with molecular formula C12H4Cl6O and molecular weight 373.84 g/mol. IUPAC: 1,2,3-trichloro-4-(2,3,4-trichlorophenoxy)benzene.
Chemical Property Profile of Hexachlorodiphenyloxide
Property Insights of Hexachlorodiphenyloxide
The XLogP value of 7.2 indicates that Hexachlorodiphenyloxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Hexachlorodiphenyloxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexachlorodiphenyloxide has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexachlorodiphenyloxide?
The CAS number of Hexachlorodiphenyloxide is 71585-39-2.
What is the molecular formula of Hexachlorodiphenyloxide?
The molecular formula of Hexachlorodiphenyloxide is C12H4Cl6O.
What is the molecular weight of Hexachlorodiphenyloxide?
The molecular weight of Hexachlorodiphenyloxide is 373.84 g/mol.
Where can I buy Hexachlorodiphenyloxide?
You can request a quote for Hexachlorodiphenyloxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexachlorodiphenyloxide?
Yes, KEHONG BIO provides custom synthesis services for Hexachlorodiphenyloxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.