1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene
TL;DR: 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene (CAS 65075-02-7) is a chemical compound with molecular formula C12H2Cl8O and molecular weight 441.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenoxy)benzene
Also Known As: PCDE 195, 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenoxy)benzene, KST-1B7238, 2,2',3,3',4,4',5,6-Octachlorodiphenyl ether, 2,3,4,5,6,2',3',4'-Octachlorodiphenylether
| Molecular Formula | C12H2Cl8O |
|---|---|
| Molecular Weight | 441.76 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.7555 |
| Heavy Atoms | 21 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 65075-02-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | YHUPMPHVHYBYJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene (CAS 65075-02-7), with molecular formula C12H2Cl8O and molecular weight 441.76 g/mol. IUPAC: 1,2,3,4,5-pentachloro-6-(2,3,4-trichlorophenoxy)benzene.
Chemical Property Profile of 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene
Property Insights of 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene
The XLogP value of 8.5 indicates that 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene 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 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene?
The CAS number of 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene is 65075-02-7.
What is the molecular formula of 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene?
The molecular formula of 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene is C12H2Cl8O.
What is the molecular weight of 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene?
The molecular weight of 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene is 441.76 g/mol.
Where can I buy 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene?
You can request a quote for 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5-Pentachloro-6-(2,3,4-trichlorophenoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.