4,4'-二氯二苯基砜
TL;DR: 4,4'-二氯二苯基砜 (CAS 80-07-9) 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.
4,4'-二氯二苯基砜
1-chloro-4-(4-chlorophenyl)sulfonylbenzene
Also Known As: 4,4'-DICHLORODIPHENYL SULFONE, Bis(4-chlorophenyl) sulfone, 4-Chlorophenyl sulfone, 4,4'-sulfonylbis(chlorobenzene), p,p'-Dichlorodiphenyl sulfone
| Molecular Formula | C12H8Cl2O2S |
|---|---|
| Molecular Weight | 285.96 g/mol |
| LogP | 3.9 |
| 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 | 306.0 |
| Melting Point | 293 to 147.8 °C |
| Boiling Point | Sublimes |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 0.00000081 [mmHg] |
Chemical Identifiers
| CAS Number | 80-07-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl |
| InChIKey | GPAPPPVRLPGFEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-二氯二苯基砜 (CAS 80-07-9), with molecular formula C12H8Cl2O2S and molecular weight 285.96 g/mol. IUPAC: 1-chloro-4-(4-chlorophenyl)sulfonylbenzene.
Chemical Property Profile of 4,4'-二氯二苯基砜
Property Insights of 4,4'-二氯二苯基砜
The XLogP value of 3.9 indicates that 4,4'-二氯二苯基砜 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 4,4'-二氯二苯基砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-二氯二苯基砜 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 4,4'-二氯二苯基砜?
The CAS number of 4,4'-二氯二苯基砜 is 80-07-9.
What is the molecular formula of 4,4'-二氯二苯基砜?
The molecular formula of 4,4'-二氯二苯基砜 is C12H8Cl2O2S.
What is the molecular weight of 4,4'-二氯二苯基砜?
The molecular weight of 4,4'-二氯二苯基砜 is 285.96 g/mol.
Where can I buy 4,4'-二氯二苯基砜?
You can request a quote for 4,4'-二氯二苯基砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-二氯二苯基砜?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-二氯二苯基砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.