2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl
TL;DR: 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl (CAS 104086-00-2) is a chemical compound with molecular formula C13H9Cl3O2S and molecular weight 333.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-(2,5-dichlorophenyl)-4-methylsulfonylbenzene
Also Known As: propynyl magnesium bromide, 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl, 1,1'-Biphenyl, 2,2',5-trichloro-5'-(methylsulfonyl)-, 1,1'-Biphenyl,2,2',5-trichloro-5'-(methylsulfonyl)-, 1-chloro-2-(2,5-dichlorophenyl)-4-methylsulfonylbenzene
| Molecular Formula | C13H9Cl3O2S |
|---|---|
| Molecular Weight | 333.94 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.93887 |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 104086-00-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Cl)C2=C(C=CC(=C2)Cl)Cl |
| InChIKey | RITIGLZNFMPVQD-UHFFFAOYSA-N |
Product Overview
2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl (CAS 104086-00-2), with molecular formula C13H9Cl3O2S and molecular weight 333.94 g/mol. IUPAC: 1-chloro-2-(2,5-dichlorophenyl)-4-methylsulfonylbenzene.
Chemical Property Profile of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl
Property Insights of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl
The XLogP value of 4.7 indicates that 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl?
The CAS number of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl is 104086-00-2.
What is the molecular formula of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl?
The molecular formula of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl is C13H9Cl3O2S.
What is the molecular weight of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl?
The molecular weight of 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl is 333.94 g/mol.
Where can I buy 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl?
You can request a quote for 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2',5-Trichloro-5'-(methylsulfonyl)-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.