2,4-Bis-(methylsulfonyl)-1-chlorobenzene
TL;DR: 2,4-Bis-(methylsulfonyl)-1-chlorobenzene (CAS 17481-98-0) is a chemical compound with molecular formula C8H9ClO4S2 and molecular weight 267.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,4-bis(methylsulfonyl)benzene
Also Known As: 1-chloro-2,4-dimethanesulfonylbenzene, 1-Chloro-2,4-bis(methylsulfonyl)benzene, 1-Chloro-2,4-bis-methanesulfonyl-benzene, ChemDiv2_000195, Benzene, 1-chloro-2,4-bis(methylsulfonyl)-
| Molecular Formula | C8H9ClO4S2 |
|---|---|
| Molecular Weight | 267.96 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.96307 |
| Heavy Atoms | 15 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 17481-98-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C |
| InChIKey | UKDQQMUWOMVLCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Bis-(methylsulfonyl)-1-chlorobenzene (CAS 17481-98-0), with molecular formula C8H9ClO4S2 and molecular weight 267.96 g/mol. IUPAC: 1-chloro-2,4-bis(methylsulfonyl)benzene.
Chemical Property Profile of 2,4-Bis-(methylsulfonyl)-1-chlorobenzene
Property Insights of 2,4-Bis-(methylsulfonyl)-1-chlorobenzene
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Bis-(methylsulfonyl)-1-chlorobenzene. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Bis-(methylsulfonyl)-1-chlorobenzene. Following Lipinski's Rule of Five, 2,4-Bis-(methylsulfonyl)-1-chlorobenzene has 0 hydrogen bond donor(s) and 4 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 2,4-Bis-(methylsulfonyl)-1-chlorobenzene?
The CAS number of 2,4-Bis-(methylsulfonyl)-1-chlorobenzene is 17481-98-0.
What is the molecular formula of 2,4-Bis-(methylsulfonyl)-1-chlorobenzene?
The molecular formula of 2,4-Bis-(methylsulfonyl)-1-chlorobenzene is C8H9ClO4S2.
What is the molecular weight of 2,4-Bis-(methylsulfonyl)-1-chlorobenzene?
The molecular weight of 2,4-Bis-(methylsulfonyl)-1-chlorobenzene is 267.96 g/mol.
Where can I buy 2,4-Bis-(methylsulfonyl)-1-chlorobenzene?
You can request a quote for 2,4-Bis-(methylsulfonyl)-1-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis-(methylsulfonyl)-1-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis-(methylsulfonyl)-1-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.