2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl
TL;DR: 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl (CAS 104086-10-4) is a chemical compound with molecular formula C13H7Cl5O2S and molecular weight 401.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-3-(3,4-dichloro-5-methylsulfonylphenyl)benzene
Also Known As: 2-Biphenylyl-methylsulfon, 2,3,3',4',6-pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl, 1,1'-Biphenyl, 2,3,3',4',6-pentachloro-5'-(methylsulfonyl)-, 1,1'-Biphenyl,2,3,3',4',6-pentachloro-5'-(methylsulfonyl)-, 1,2,4-trichloro-3-(3,4-dichloro-5-methylsulfonylphenyl)benzene
| Molecular Formula | C13H7Cl5O2S |
|---|---|
| Molecular Weight | 401.86 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.86093 |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 104086-10-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C(=CC(=C1)C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | NZXYWVAILRNDNE-UHFFFAOYSA-N |
Product Overview
2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl (CAS 104086-10-4), with molecular formula C13H7Cl5O2S and molecular weight 401.86 g/mol. IUPAC: 1,2,4-trichloro-3-(3,4-dichloro-5-methylsulfonylphenyl)benzene.
Chemical Property Profile of 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl
Property Insights of 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl
The XLogP value of 5.8 indicates that 2,3,3',4',6-Pentachloro-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, 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3',4',6-Pentachloro-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 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl?
The CAS number of 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl is 104086-10-4.
What is the molecular formula of 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl?
The molecular formula of 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl is C13H7Cl5O2S.
What is the molecular weight of 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl?
The molecular weight of 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl is 401.86 g/mol.
Where can I buy 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl?
You can request a quote for 2,3,3',4',6-Pentachloro-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 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3',4',6-Pentachloro-5'-(methylsulfonyl)-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.