1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate
TL;DR: 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate (CAS 561289-21-2) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl 3-phenylprop-2-enoate
Also Known As: 1,3-benzodioxol-5-yl 3-phenylacrylate, 1,3-benzodioxol-5-yl 3-phenylprop-2-enoate
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.0341 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 646.7814 |
Chemical Identifiers
| CAS Number | 561289-21-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OC(=O)C=CC3=CC=CC=C3 |
Product Overview
1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate (CAS 561289-21-2), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 1,3-benzodioxol-5-yl 3-phenylprop-2-enoate.
Chemical Property Profile of 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate
Property Insights of 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate
The XLogP value of 3.0341 indicates that 1,3-Benzodioxol-5-yl 3-phenylprop-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, 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl 3-phenylprop-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 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate?
The CAS number of 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate is 561289-21-2.
What is the molecular formula of 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate?
The molecular formula of 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate is C16H12O4.
What is the molecular weight of 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate?
The molecular weight of 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate is 268.07 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate?
You can request a quote for 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.