3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl
TL;DR: 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl (CAS 104086-12-6) 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.
1,2,3-trichloro-4-(3,4-dichloro-5-methylsulfonylphenyl)benzene
Also Known As: 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl, 1,1'-Biphenyl, 2',3',4,4',5-pentachloro-3-(methylsulfonyl)-, 1,1'-Biphenyl,2,3,3',4,4'-pentachloro-5'-(methylsulfonyl)-, 1,2,3-trichloro-4-(3,4-dichloro-5-methylsulfonylphenyl)benzene, 2,3,3',4,4'-Pentachloro-5'-(methanesulfonyl)-1,1'-biphenyl
| Molecular Formula | C13H7Cl5O2S |
|---|---|
| Molecular Weight | 401.86 g/mol |
| LogP | 6.2 |
| 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 | 104086-12-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C(=CC(=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl |
| InChIKey | SJHGZTMSOUOSJE-UHFFFAOYSA-N |
Product Overview
3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl (CAS 104086-12-6), with molecular formula C13H7Cl5O2S and molecular weight 401.86 g/mol. IUPAC: 1,2,3-trichloro-4-(3,4-dichloro-5-methylsulfonylphenyl)benzene.
Chemical Property Profile of 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl
Property Insights of 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl
The XLogP value of 6.2 indicates that 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl 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 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl?
The CAS number of 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl is 104086-12-6.
What is the molecular formula of 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl?
The molecular formula of 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl is C13H7Cl5O2S.
What is the molecular weight of 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl?
The molecular weight of 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl is 401.86 g/mol.
Where can I buy 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl?
You can request a quote for 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylsulfonyl-2',3',4,4',5-pentachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.