2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl
TL;DR: 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl (CAS 1133-31-9) is a chemical compound with molecular formula C13H6Cl6O2S and molecular weight 435.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4-trichloro-1-methylsulfonyl-5-(2,3,6-trichlorophenyl)benzene
Also Known As: propynyl magnesium bromide, 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl, J1.965.535K, 1,1'-Biphenyl, 2,2',3,3',4,6'-hexachloro-5-(methylsulfonyl)-, 1,1'-Biphenyl,2,2',3,3',4,6'-hexachloro-5-(methylsulfonyl)-
| Molecular Formula | C13H6Cl6O2S |
|---|---|
| Molecular Weight | 435.82 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.82196 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 1133-31-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C(=C(C(=C1)C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | PAFCABGIXGPJEQ-UHFFFAOYSA-N |
Product Overview
2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl (CAS 1133-31-9), with molecular formula C13H6Cl6O2S and molecular weight 435.82 g/mol. IUPAC: 2,3,4-trichloro-1-methylsulfonyl-5-(2,3,6-trichlorophenyl)benzene.
Chemical Property Profile of 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl
Property Insights of 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl
The XLogP value of 6.3 indicates that 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl has 0 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 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl?
The CAS number of 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl is 1133-31-9.
What is the molecular formula of 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl?
The molecular formula of 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl is C13H6Cl6O2S.
What is the molecular weight of 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl?
The molecular weight of 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl is 435.82 g/mol.
Where can I buy 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl?
You can request a quote for 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,3',4,6'-Hexachloro-5-(methylsulfonyl)-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.