Benzene, (1-ethoxy-3-butenyl)-
TL;DR: Benzene, (1-ethoxy-3-butenyl)- (CAS 54703-48-9) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxybut-3-enylbenzene
Also Known As: 1-ethoxybut-3-enylbenzene, Benzene, (1-ethoxy-3-butenyl)-, (1-Ethoxy-3-butenyl)benzene, alpha-Allylbenzylethyl ether, 1-Ethoxy-1-phenylbut-3-en
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 54703-48-9 |
|---|---|
| SMILES | CCOC(CC=C)C1=CC=CC=C1 |
| InChIKey | SIZWGEZSKFOIIF-UHFFFAOYSA-N |
Product Overview
Benzene, (1-ethoxy-3-butenyl)- (CAS 54703-48-9), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1-ethoxybut-3-enylbenzene.
Chemical Property Profile of Benzene, (1-ethoxy-3-butenyl)-
Property Insights of Benzene, (1-ethoxy-3-butenyl)-
The XLogP value of 3.1 indicates that Benzene, (1-ethoxy-3-butenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, (1-ethoxy-3-butenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1-ethoxy-3-butenyl)- has 0 hydrogen bond donor(s) and 1 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, (1-ethoxy-3-butenyl)-?
The CAS number of Benzene, (1-ethoxy-3-butenyl)- is 54703-48-9.
What is the molecular formula of Benzene, (1-ethoxy-3-butenyl)-?
The molecular formula of Benzene, (1-ethoxy-3-butenyl)- is C12H16O.
What is the molecular weight of Benzene, (1-ethoxy-3-butenyl)-?
The molecular weight of Benzene, (1-ethoxy-3-butenyl)- is 176.12 g/mol.
Where can I buy Benzene, (1-ethoxy-3-butenyl)-?
You can request a quote for Benzene, (1-ethoxy-3-butenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1-ethoxy-3-butenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1-ethoxy-3-butenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.