![diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate structure](/static/products/7400/7400-87-5.webp)
diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate
TL;DR: diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate (CAS 7400-87-5) is a chemical compound with molecular formula C26H30O10 and molecular weight 502.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate
Also Known As: diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate, diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-tr, Diethyl [2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl][(3,4,5-trimethoxyphenyl)methyl]propanedioate
| Molecular Formula | C26H30O10 |
|---|---|
| Molecular Weight | 502.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 502.1839 |
| Heavy Atoms | 36 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 7400-87-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C(=C1)OC)OC)OC)(CC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OCC |
| InChIKey | JAMQXXIVLDVNBB-UHFFFAOYSA-N |
Product Overview
diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate (CAS 7400-87-5), with molecular formula C26H30O10 and molecular weight 502.18 g/mol. IUPAC: diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate.
Chemical Property Profile of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate
Property Insights of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate
The XLogP value of 3.7 indicates that diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate. Following Lipinski's Rule of Five, diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate?
The CAS number of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate is 7400-87-5.
What is the molecular formula of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate?
The molecular formula of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate is C26H30O10.
What is the molecular weight of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate?
The molecular weight of diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate is 502.18 g/mol.
Where can I buy diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate?
You can request a quote for diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.