4-(Benzenesulfonyl)-1,2-dichlorobenzene
TL;DR: 4-(Benzenesulfonyl)-1,2-dichlorobenzene (CAS 104115-91-5) is a chemical compound with molecular formula C12H8Cl2O2S and molecular weight 285.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-1,2-dichlorobenzene
Also Known As: 3,4-Dichlorodiphenylsulfone, 4-(benzenesulfonyl)-1,2-dichlorobenzene, 3,4-dichlorodiphenyl sulfone, 3,4-Dichlorophenyl phenylsulfone, 3,4-Dichlorophenylphenyl sulfone
| Molecular Formula | C12H8Cl2O2S |
|---|---|
| Molecular Weight | 285.96 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.96222 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 104115-91-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | ZJCAPFUTIZDMBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Benzenesulfonyl)-1,2-dichlorobenzene (CAS 104115-91-5), with molecular formula C12H8Cl2O2S and molecular weight 285.96 g/mol. IUPAC: 4-(benzenesulfonyl)-1,2-dichlorobenzene.
Chemical Property Profile of 4-(Benzenesulfonyl)-1,2-dichlorobenzene
Property Insights of 4-(Benzenesulfonyl)-1,2-dichlorobenzene
The XLogP value of 4.2 indicates that 4-(Benzenesulfonyl)-1,2-dichlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 4-(Benzenesulfonyl)-1,2-dichlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)-1,2-dichlorobenzene 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 4-(Benzenesulfonyl)-1,2-dichlorobenzene?
The CAS number of 4-(Benzenesulfonyl)-1,2-dichlorobenzene is 104115-91-5.
What is the molecular formula of 4-(Benzenesulfonyl)-1,2-dichlorobenzene?
The molecular formula of 4-(Benzenesulfonyl)-1,2-dichlorobenzene is C12H8Cl2O2S.
What is the molecular weight of 4-(Benzenesulfonyl)-1,2-dichlorobenzene?
The molecular weight of 4-(Benzenesulfonyl)-1,2-dichlorobenzene is 285.96 g/mol.
Where can I buy 4-(Benzenesulfonyl)-1,2-dichlorobenzene?
You can request a quote for 4-(Benzenesulfonyl)-1,2-dichlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzenesulfonyl)-1,2-dichlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)-1,2-dichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.