2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol
TL;DR: 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol (CAS 36117-76-7) is a chemical compound with molecular formula C12H2Cl8O2 and molecular weight 457.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trichloro-6-(2,3,4,5,6-pentachlorophenyl)benzene-1,2-diol
Also Known As: Octachlorobiphenol, Octachlorobiphenyldiol, Biphenyldiol, octachloro-, Dihydroxyoctachlorodiphenyl, Octachlorodihydroxybiphenyl
| Molecular Formula | C12H2Cl8O2 |
|---|---|
| Molecular Weight | 457.76 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 457.7563 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 36117-76-7 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)O)O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | NSAHLNKCXHQCGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol (CAS 36117-76-7), with molecular formula C12H2Cl8O2 and molecular weight 457.76 g/mol. IUPAC: 3,4,5-trichloro-6-(2,3,4,5,6-pentachlorophenyl)benzene-1,2-diol.
Chemical Property Profile of 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol
Property Insights of 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol
The XLogP value of 6.3 indicates that 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol has 2 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',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol?
The CAS number of 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol is 36117-76-7.
What is the molecular formula of 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol?
The molecular formula of 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol is C12H2Cl8O2.
What is the molecular weight of 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol?
The molecular weight of 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol is 457.76 g/mol.
Where can I buy 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol?
You can request a quote for 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2',3',4,4',5,5',6,6'-Octachloro(1,1'-biphenyl)-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.