![Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate structure](/static/products/7089/70891-44-0.webp)
Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate
TL;DR: Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate (CAS 70891-44-0) is a chemical compound with molecular formula C23H28O8 and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoate
Also Known As: ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate, ethyl 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxypheny, ethyl 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoate, Ethyl 2-[(2H-1,3-benzodioxol-5-yl)(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate
| Molecular Formula | C23H28O8 |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 432.1784 |
| Heavy Atoms | 31 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 70891-44-0 |
|---|---|
| SMILES | CCC(C(=O)OCC)C(C1=CC2=C(C=C1)OCO2)(C3=CC(=C(C(=C3)OC)OC)OC)O |
| InChIKey | AZRBKXQAGRLIPZ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate (CAS 70891-44-0), with molecular formula C23H28O8 and molecular weight 432.18 g/mol. IUPAC: ethyl 2-[1,3-benzodioxol-5-yl-hydroxy-(3,4,5-trimethoxyphenyl)methyl]butanoate.
Chemical Property Profile of Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate
Property Insights of Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate
The XLogP value of 3.4 indicates that Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate. Following Lipinski's Rule of Five, Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate 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 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate?
The CAS number of Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate is 70891-44-0.
What is the molecular formula of Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate?
The molecular formula of Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate is C23H28O8.
What is the molecular weight of Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate?
The molecular weight of Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate is 432.18 g/mol.
Where can I buy Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate?
You can request a quote for Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[1,3-benzodioxol-5-yl(hydroxy)(3,4,5-trimethoxyphenyl)methyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.