![Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- structure](/static/products/6154/61541-95-5.webp)
Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-
TL;DR: Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- (CAS 61541-95-5) is a chemical compound with molecular formula C20H24OS and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-(4-phenoxybut-2-enylsulfanyl)benzene
Also Known As: 1-tert-butyl-4-(4-phenoxybut-2-enylsulfanyl)benzene, Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-, 1-TERT-BUTYL-4-[(4-PHENOXYBUT-2-EN-1-YL)SULFANYL]BENZENE
| Molecular Formula | C20H24OS |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1548 |
| Heavy Atoms | 22 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 61541-95-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SCC=CCOC2=CC=CC=C2 |
| InChIKey | DZXNEIZGBMKUOL-UHFFFAOYSA-N |
Product Overview
Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- (CAS 61541-95-5), with molecular formula C20H24OS and molecular weight 312.15 g/mol. IUPAC: 1-tert-butyl-4-(4-phenoxybut-2-enylsulfanyl)benzene.
Chemical Property Profile of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-
Property Insights of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-
The XLogP value of 6.1 indicates that Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-?
The CAS number of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- is 61541-95-5.
What is the molecular formula of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-?
The molecular formula of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- is C20H24OS.
What is the molecular weight of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-?
The molecular weight of Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- is 312.15 g/mol.
Where can I buy Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-?
You can request a quote for Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.