Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
TL;DR: Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 86408-29-9) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate, Benzyl 3-(benzo[d][1,3]dioxol-5-yl)acrylate, benzyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.1719 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 661.74524 |
Chemical Identifiers
| CAS Number | 86408-29-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate (CAS 86408-29-9), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: benzyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
Property Insights of Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
The XLogP value of 3.1719 indicates that Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-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 Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
The CAS number of Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate is 86408-29-9.
What is the molecular formula of Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular formula of Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate is C17H14O4.
What is the molecular weight of Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
The molecular weight of Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate is 282.09 g/mol.
Where can I buy Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
You can request a quote for Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.