Benzene, 2,4-dichloro-1-(methylsulfonyl)-
TL;DR: Benzene, 2,4-dichloro-1-(methylsulfonyl)- (CAS 85901-48-0) is a chemical compound with molecular formula C7H6Cl2O2S and molecular weight 223.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-1-methylsulfonylbenzene
Also Known As: 2,4-Dichlorophenylmethylsulfone, 2,4-Dichloro-1-(methylsulfonyl)benzene, 2,4-Dichlorophenyl methyl sulfone, 2,4-dichloro-1-methylsulfonylbenzene, Benzene, 2,4-dichloro-1-(methylsulfonyl)-
| Molecular Formula | C7H6Cl2O2S |
|---|---|
| Molecular Weight | 223.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.94655 |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 85901-48-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1)Cl)Cl |
| InChIKey | XBAXSNXJMHDHQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 2,4-dichloro-1-(methylsulfonyl)- (CAS 85901-48-0), with molecular formula C7H6Cl2O2S and molecular weight 223.95 g/mol. IUPAC: 2,4-dichloro-1-methylsulfonylbenzene.
Chemical Property Profile of Benzene, 2,4-dichloro-1-(methylsulfonyl)-
Property Insights of Benzene, 2,4-dichloro-1-(methylsulfonyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 2,4-dichloro-1-(methylsulfonyl)-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, 2,4-dichloro-1-(methylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2,4-dichloro-1-(methylsulfonyl)- 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 Benzene, 2,4-dichloro-1-(methylsulfonyl)-?
The CAS number of Benzene, 2,4-dichloro-1-(methylsulfonyl)- is 85901-48-0.
What is the molecular formula of Benzene, 2,4-dichloro-1-(methylsulfonyl)-?
The molecular formula of Benzene, 2,4-dichloro-1-(methylsulfonyl)- is C7H6Cl2O2S.
What is the molecular weight of Benzene, 2,4-dichloro-1-(methylsulfonyl)-?
The molecular weight of Benzene, 2,4-dichloro-1-(methylsulfonyl)- is 223.95 g/mol.
Where can I buy Benzene, 2,4-dichloro-1-(methylsulfonyl)-?
You can request a quote for Benzene, 2,4-dichloro-1-(methylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2,4-dichloro-1-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2,4-dichloro-1-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.