1-Chloro-4-(ethylsulfonyl)benzene
TL;DR: 1-Chloro-4-(ethylsulfonyl)benzene (CAS 7205-80-3) is a chemical compound with molecular formula C8H9ClO2S and molecular weight 204.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-ethylsulfonylbenzene
Also Known As: 1-chloro-4-(ethylsulfonyl)benzene, 4-chlorophenyl ethyl sulfone, 1-chloro-4-ethylsulfonylbenzene, N,N-Diethylallylamine, 1-chloro-4-(ethanesulfonyl)benzene
| Molecular Formula | C8H9ClO2S |
|---|---|
| Molecular Weight | 204.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.00117 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 7205-80-3 |
|---|---|
| SMILES | CCS(=O)(=O)C1=CC=C(C=C1)Cl |
| InChIKey | FVSFDDWOQCUYKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-4-(ethylsulfonyl)benzene (CAS 7205-80-3), with molecular formula C8H9ClO2S and molecular weight 204.00 g/mol. IUPAC: 1-chloro-4-ethylsulfonylbenzene.
Chemical Property Profile of 1-Chloro-4-(ethylsulfonyl)benzene
Property Insights of 1-Chloro-4-(ethylsulfonyl)benzene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(ethylsulfonyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-4-(ethylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(ethylsulfonyl)benzene 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 1-Chloro-4-(ethylsulfonyl)benzene?
The CAS number of 1-Chloro-4-(ethylsulfonyl)benzene is 7205-80-3.
What is the molecular formula of 1-Chloro-4-(ethylsulfonyl)benzene?
The molecular formula of 1-Chloro-4-(ethylsulfonyl)benzene is C8H9ClO2S.
What is the molecular weight of 1-Chloro-4-(ethylsulfonyl)benzene?
The molecular weight of 1-Chloro-4-(ethylsulfonyl)benzene is 204.00 g/mol.
Where can I buy 1-Chloro-4-(ethylsulfonyl)benzene?
You can request a quote for 1-Chloro-4-(ethylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(ethylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(ethylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.