Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate
TL;DR: Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate (CAS 70890-58-3) is a chemical compound with molecular formula C21H24O8 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate
Also Known As: ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate, ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxy, Ethyl 3-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate
| Molecular Formula | C21H24O8 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.14713 |
| Heavy Atoms | 29 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 70890-58-3 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)(C3=CC(=C(C(=C3)OC)OC)OC)O |
| InChIKey | RBMAWODFFUMMQU-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate (CAS 70890-58-3), with molecular formula C21H24O8 and molecular weight 404.15 g/mol. IUPAC: ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate.
Chemical Property Profile of Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate
Property Insights of Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate has 1 hydrogen bond donor(s) and 8 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-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate?
The CAS number of Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate is 70890-58-3.
What is the molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate?
The molecular formula of Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate is C21H24O8.
What is the molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate?
The molecular weight of Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate is 404.15 g/mol.
Where can I buy Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate?
You can request a quote for Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.