(4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene
TL;DR: (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene (CAS 28995-95-1) is a chemical compound with molecular formula C18H16O2S and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene
Also Known As: (4-ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene, [(Z)-4-ethylsulfonyl-3-phenylbut-3-en-1-ynyl]benzene, 1,1'-[1-(ethylsulfonyl)but-1-en-3-yne-2,4-diyl]dibenzene
| Molecular Formula | C18H16O2S |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0871 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 28995-95-1 |
|---|---|
| SMILES | CCS(=O)(=O)C=C(C#CC1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | OLLJSKLPNCIVCS-UHFFFAOYSA-N |
Product Overview
(4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene (CAS 28995-95-1), with molecular formula C18H16O2S and molecular weight 296.09 g/mol. IUPAC: (4-ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene.
Chemical Property Profile of (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene
Property Insights of (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene
The XLogP value of 4.2 indicates that (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene 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-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)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 (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene?
The CAS number of (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene is 28995-95-1.
What is the molecular formula of (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene?
The molecular formula of (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene is C18H16O2S.
What is the molecular weight of (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene?
The molecular weight of (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene is 296.09 g/mol.
Where can I buy (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene?
You can request a quote for (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Ethylsulfonyl-3-phenylbut-3-en-1-ynyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.