3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl
TL;DR: 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl (CAS 149949-86-0) 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-(2,4-dichlorophenyl)-5-methylsulfonylbenzene
Also Known As: 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl, 1,2,4-trichloro-3-(2,4-dichlorophenyl)-5-methylsulfonylbenzene, 2,2',3,4',6-Pentachloro-5-(methylsulfonyl)-1,1-biphenyl, 1,1'-Biphenyl,2,2',3,4',6-pentachloro-5-(methylsulfonyl)-, 3-METHYLSULFONYL-2,2',4',5,6-PENTACHLOROBIPHENYL
| Molecular Formula | C13H7Cl5O2S |
|---|---|
| Molecular Weight | 401.86 g/mol |
| LogP | 5.5 |
| 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 | 149949-86-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1Cl)C2=C(C=C(C=C2)Cl)Cl)Cl)Cl |
| InChIKey | PKWOFGBAESPSGY-UHFFFAOYSA-N |
Product Overview
3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl (CAS 149949-86-0), with molecular formula C13H7Cl5O2S and molecular weight 401.86 g/mol. IUPAC: 1,2,4-trichloro-3-(2,4-dichlorophenyl)-5-methylsulfonylbenzene.
Chemical Property Profile of 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl
Property Insights of 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl
The XLogP value of 5.5 indicates that 3-Methylsulfonyl-2,5,6,2',4'-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-2,5,6,2',4'-pentachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsulfonyl-2,5,6,2',4'-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-2,5,6,2',4'-pentachlorobiphenyl?
The CAS number of 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl is 149949-86-0.
What is the molecular formula of 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl?
The molecular formula of 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl is C13H7Cl5O2S.
What is the molecular weight of 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl?
The molecular weight of 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl is 401.86 g/mol.
Where can I buy 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl?
You can request a quote for 3-Methylsulfonyl-2,5,6,2',4'-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-2,5,6,2',4'-pentachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylsulfonyl-2,5,6,2',4'-pentachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.