3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl
TL;DR: 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl (CAS 92138-19-7) is a chemical compound with molecular formula C13H6Cl6O2S and molecular weight 435.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-tetrachloro-5-(3,4-dichloro-5-methylsulfonylphenyl)benzene
Also Known As: 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl, 1,2,3,4-tetrachloro-5-(3,4-dichloro-5-methylsulfonylphenyl)benzene, 2,3,3',4,4',5-hexachloro-5'-methanesulfonyl-1,1'-biphenyl, L-Phenylalanine, N-[2-[(4-carboxyphenyl)amino]-2-oxoethyl]-, 2,3,3',4,4',5-Hexachloro-5'-(methanesulfonyl)-1,1'-biphenyl
| Molecular Formula | C13H6Cl6O2S |
|---|---|
| Molecular Weight | 435.82 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.82196 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 92138-19-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C(=CC(=C1)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | HFIROXVLVGGBLF-UHFFFAOYSA-N |
Product Overview
3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl (CAS 92138-19-7), with molecular formula C13H6Cl6O2S and molecular weight 435.82 g/mol. IUPAC: 1,2,3,4-tetrachloro-5-(3,4-dichloro-5-methylsulfonylphenyl)benzene.
Chemical Property Profile of 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl
Property Insights of 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl
The XLogP value of 6.7 indicates that 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl 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',5,5'-hexachlorobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl 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',5,5'-hexachlorobiphenyl?
The CAS number of 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl is 92138-19-7.
What is the molecular formula of 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl?
The molecular formula of 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl is C13H6Cl6O2S.
What is the molecular weight of 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl?
The molecular weight of 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl is 435.82 g/mol.
Where can I buy 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl?
You can request a quote for 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl 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',5,5'-hexachlorobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylsulfonyl-2',3',4,4',5,5'-hexachlorobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.