4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl
TL;DR: 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl (CAS 94659-41-3) is a chemical compound with molecular formula C16H14Cl4O4S2 and molecular weight 473.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichloro-2-(2,5-dichloro-4-ethylsulfonylphenyl)-5-ethylsulfonylbenzene
Also Known As: Bestbp, 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl, 4,4'-bis -2,2',5,5'-tetrachlorobiphenyl, 1,4-dichloro-2-(2,5-dichloro-4-ethylsulfonylphenyl)-5-ethylsulfonylbenzene, 1,1'-Biphenyl, 2,2',5,5'-tetrachloro-4,4'-bis(ethyl-2-14C-sulfonyl)-, (+-)-
| Molecular Formula | C16H14Cl4O4S2 |
|---|---|
| Molecular Weight | 473.91 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.90875 |
| Heavy Atoms | 26 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 94659-41-3 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)Cl)C2=CC(=C(C=C2Cl)S(=O)(=O)CC)Cl)Cl |
| InChIKey | LKFPIQYVBFLYQD-UHFFFAOYSA-N |
Product Overview
4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl (CAS 94659-41-3), with molecular formula C16H14Cl4O4S2 and molecular weight 473.91 g/mol. IUPAC: 1,4-dichloro-2-(2,5-dichloro-4-ethylsulfonylphenyl)-5-ethylsulfonylbenzene.
Chemical Property Profile of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl
Property Insights of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl
The XLogP value of 5.1 indicates that 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl. Following Lipinski's Rule of Five, 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl?
The CAS number of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl is 94659-41-3.
What is the molecular formula of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl?
The molecular formula of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl is C16H14Cl4O4S2.
What is the molecular weight of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl?
The molecular weight of 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl is 473.91 g/mol.
Where can I buy 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl?
You can request a quote for 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Bis(ethylsulfonyl)-2,2',5,5'-tetrachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.