![[1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene structure](/static/products/980/98088-48-3.png)
[1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene
TL;DR: [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene (CAS 98088-48-3) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enoxybut-3-enylbenzene
Also Known As: -benzene, 1-prop-2-enoxybut-3-enylbenzene, alpha-Allylbenzylallyl ether, [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene, 1-Phenyl-3-butenylallyl ether
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 98088-48-3 |
|---|---|
| SMILES | C=CCC(C1=CC=CC=C1)OCC=C |
| InChIKey | VQJJJPBNIXFEFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene (CAS 98088-48-3), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 1-prop-2-enoxybut-3-enylbenzene.
Chemical Property Profile of [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene
Property Insights of [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene
The XLogP value of 3.4 indicates that [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene 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 [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene?
The CAS number of [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene is 98088-48-3.
What is the molecular formula of [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene?
The molecular formula of [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene is C13H16O.
What is the molecular weight of [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene?
The molecular weight of [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene is 188.12 g/mol.
Where can I buy [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene?
You can request a quote for [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene?
Yes, KEHONG BIO provides custom synthesis services for [1-(2-propen-1-yloxy)-3-buten-1-yl]Benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.