Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate
TL;DR: Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate (CAS 5442-29-5) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate
Also Known As: ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate, ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoat, ETHYL 3-(ACETYLOXY)-3-(2H-1,3-BENZODIOXOL-5-YL)-2-PHENYLPROPANOATE
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 5442-29-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)C(C2=CC3=C(C=C2)OCO3)OC(=O)C |
| InChIKey | YGHUBLDSNHIAAP-UHFFFAOYSA-N |
Product Overview
Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate (CAS 5442-29-5), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate.
Chemical Property Profile of Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate
Property Insights of Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate
The XLogP value of 3.3 indicates that Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate has 0 hydrogen bond donor(s) and 6 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-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate?
The CAS number of Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate is 5442-29-5.
What is the molecular formula of Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate?
The molecular formula of Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate is C20H20O6.
What is the molecular weight of Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate?
The molecular weight of Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate is 356.13 g/mol.
Where can I buy Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate?
You can request a quote for Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.