1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate
TL;DR: 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate (CAS 7598-89-2) is a chemical compound with molecular formula C16H18O4 and molecular weight 274.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)but-3-enyl 3-methylbut-2-enoate
Also Known As: 1-(1,3-benzodioxol-5-yl)but-3-enyl 3-methylbut-2-enoate, 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate
| Molecular Formula | C16H18O4 |
|---|---|
| Molecular Weight | 274.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 274.1205 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 7598-89-2 |
|---|---|
| SMILES | CC(=CC(=O)OC(CC=C)C1=CC2=C(C=C1)OCO2)C |
| InChIKey | PGNFTXZCPJRPOR-UHFFFAOYSA-N |
Product Overview
1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate (CAS 7598-89-2), with molecular formula C16H18O4 and molecular weight 274.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)but-3-enyl 3-methylbut-2-enoate.
Chemical Property Profile of 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate
Property Insights of 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate
The XLogP value of 4.0 indicates that 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate 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 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate?
The CAS number of 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate is 7598-89-2.
What is the molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate?
The molecular formula of 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate is C16H18O4.
What is the molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate?
The molecular weight of 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate is 274.12 g/mol.
Where can I buy 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate?
You can request a quote for 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2H-1,3-Benzodioxol-5-yl)but-3-en-1-yl 3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.