4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl
TL;DR: 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl (CAS 128759-99-9) 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.
1,3-dichloro-2-methylsulfonyl-5-(3,4,5-trichlorophenyl)benzene
Also Known As: 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl, Methyl 2-C-allyl-2-deoxyarabinofuranoside, 1,1'-Biphenyl,3,3',4,5,5'-pentachloro-4'-(methylsulfonyl)-, 1,3-dichloro-2-methylsulfonyl-5-(3,4,5-trichlorophenyl)benzene, 4-Methylsulfonyl-3,3/',4/',5,5/'-pentachlorobiphenyl
| Molecular Formula | C13H7Cl5O2S |
|---|---|
| Molecular Weight | 401.86 g/mol |
| LogP | 6.0 |
| 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 | 442.0 |
Chemical Identifiers
| CAS Number | 128759-99-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl |
| InChIKey | UMNNOCDFVJZPPM-UHFFFAOYSA-N |
Product Overview
4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl (CAS 128759-99-9), with molecular formula C13H7Cl5O2S and molecular weight 401.86 g/mol. IUPAC: 1,3-dichloro-2-methylsulfonyl-5-(3,4,5-trichlorophenyl)benzene.
Chemical Property Profile of 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl
Property Insights of 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl
The XLogP value of 6.0 indicates that 4-Methylsulfonyl-3,3',4',5,5'-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, 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylsulfonyl-3,3',4',5,5'-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 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl?
The CAS number of 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl is 128759-99-9.
What is the molecular formula of 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl?
The molecular formula of 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl is C13H7Cl5O2S.
What is the molecular weight of 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl?
The molecular weight of 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl is 401.86 g/mol.
Where can I buy 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl?
You can request a quote for 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylsulfonyl-3,3',4',5,5'-pentachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.