Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate
TL;DR: Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate (CAS 7253-76-1) is a chemical compound with molecular formula C18H15BrO4 and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate
Also Known As: ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate, Benzeneacetic acid, a-[(4-bromo-1,3-benzodioxol-5-yl)methylene]-,ethyl ester
| Molecular Formula | C18H15BrO4 |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.01538 |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 7253-76-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C(C2=C(C=C1)OCO2)Br)C3=CC=CC=C3 |
| InChIKey | DOPZRLLJZDSHBC-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate (CAS 7253-76-1), with molecular formula C18H15BrO4 and molecular weight 374.02 g/mol. IUPAC: ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate.
Chemical Property Profile of Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate
Property Insights of Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate
The XLogP value of 4.7 indicates that Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-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 Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate?
The CAS number of Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate is 7253-76-1.
What is the molecular formula of Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate?
The molecular formula of Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate is C18H15BrO4.
What is the molecular weight of Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate?
The molecular weight of Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate is 374.02 g/mol.
Where can I buy Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate?
You can request a quote for Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-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 Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.