2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether
TL;DR: 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether (CAS 89961-16-0) is a chemical compound with molecular formula C12H4Cl6O2 and molecular weight 389.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol
Also Known As: 2-O7-Cl-6-Dpe, 4,5-Dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol, Phenol, phenoxy-, hexachloro deriv., Phenol, 4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)-, 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether
| Molecular Formula | C12H4Cl6O2 |
|---|---|
| Molecular Weight | 389.83 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.83426 |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 89961-16-0 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)OC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)O |
| InChIKey | LHZQBSHJSSXDQI-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether (CAS 89961-16-0), with molecular formula C12H4Cl6O2 and molecular weight 389.83 g/mol. IUPAC: 4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol.
Chemical Property Profile of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether
Property Insights of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether
The XLogP value of 6.9 indicates that 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether?
The CAS number of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether is 89961-16-0.
What is the molecular formula of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether?
The molecular formula of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether is C12H4Cl6O2.
What is the molecular weight of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether?
The molecular weight of 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether is 389.83 g/mol.
Where can I buy 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether?
You can request a quote for 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2',3',4,5,5',6'-hexachlorodiphenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.