3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one
TL;DR: 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one (CAS 343879-67-4) is a chemical compound with molecular formula C12H13ClO4S and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chlorophenyl)sulfonyl-4-ethoxybut-3-en-2-one
Also Known As: 3-((4-chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one, (3E)-3-(4-chlorobenzenesulfonyl)-4-ethoxybut-3-en-2-one, 3-Buten-2-one,3-[(4-chlorophenyl)sulfonyl]-4-ethoxy-, J2.680.440J, (E)-3-(4-chlorophenyl)sulfonyl-4-ethoxybut-3-en-2-one
| Molecular Formula | C12H13ClO4S |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 2.5806 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.0223 |
| Heavy Atoms | 18 |
| Complexity | 558.2451 |
Chemical Identifiers
| CAS Number | 343879-67-4 |
|---|---|
| SMILES | CCO/C=C(\C(=O)C)/S(=O)(=O)C1=CC=C(C=C1)Cl |
Product Overview
3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one (CAS 343879-67-4), with molecular formula C12H13ClO4S and molecular weight 288.02 g/mol. IUPAC: (E)-3-(4-chlorophenyl)sulfonyl-4-ethoxybut-3-en-2-one.
Chemical Property Profile of 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one
Property Insights of 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one
The XLogP value of 2.5806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one. Following Lipinski's Rule of Five, 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one has 0 hydrogen bond donor(s) and 4 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 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one?
The CAS number of 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one is 343879-67-4.
What is the molecular formula of 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one?
The molecular formula of 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one is C12H13ClO4S.
What is the molecular weight of 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one?
The molecular weight of 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one is 288.02 g/mol.
Where can I buy 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one?
You can request a quote for 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Chlorophenyl)sulfonyl)-4-ethoxybut-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.