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Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-
TL;DR: Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- (CAS 6461-58-1) is a chemical compound with molecular formula C14H13ClO2S and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonyl)-1-chloroethyl]benzene
Also Known As: 2-chloro-2-phenylethyl phenyl sulfone, Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-, 1-Chlor-1-phenyl-2-benzolsulfonylaethan, [2-(benzenesulfonyl)-1-chloroethyl]benzene, 1-Chloro-1-phenyl-2-(phenylsulfonyl)ethan
| Molecular Formula | C14H13ClO2S |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.03247 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 6461-58-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=CC=C2)Cl |
| InChIKey | YVOMCLUOJIZFBQ-UHFFFAOYSA-N |
Product Overview
Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- (CAS 6461-58-1), with molecular formula C14H13ClO2S and molecular weight 280.03 g/mol. IUPAC: [2-(benzenesulfonyl)-1-chloroethyl]benzene.
Chemical Property Profile of Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-
Property Insights of Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- 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-chloro-2-phenylethyl)sulfonyl]-?
The CAS number of Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- is 6461-58-1.
What is the molecular formula of Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-?
The molecular formula of Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- is C14H13ClO2S.
What is the molecular weight of Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-?
The molecular weight of Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- is 280.03 g/mol.
Where can I buy Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-?
You can request a quote for Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,[(2-chloro-2-phenylethyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene,[(2-chloro-2-phenylethyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.