1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester
TL;DR: 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester (CAS 156809-09-5) is a chemical compound with molecular formula C22H24O9 and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-ethoxycarbonyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carboxylate
Also Known As: 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester, ethyl 4-(6-ethoxycarbonyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carboxylate, Ethyl 4-[6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl]-2H-1,3-benzodioxole-5-carboxylate, 1,3-Benzodioxole-5-carboxylic acid,4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-,ethyl ester, 1,3-Benzodioxole-5-carboxylicacid, 4-[6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl]-, ethyl ester
| Molecular Formula | C22H24O9 |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 3.4615 |
| Topological Polar Surface Area | 98.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.14203 |
| Heavy Atoms | 31 |
| Complexity | 997.2066 |
Chemical Identifiers
| CAS Number | 156809-09-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C=C1)OCO2)C3=C(C(=C(C=C3C(=O)OCC)OC)OC)OC |
Product Overview
1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester (CAS 156809-09-5), with molecular formula C22H24O9 and molecular weight 432.14 g/mol. IUPAC: ethyl 4-(6-ethoxycarbonyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester
Property Insights of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester
The XLogP value of 3.4615 indicates that 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester has 0 hydrogen bond donor(s) and 9 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 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester?
The CAS number of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester is 156809-09-5.
What is the molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester?
The molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester is C22H24O9.
What is the molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester?
The molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester is 432.14 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester?
You can request a quote for 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(ethoxycarbonyl)-2,3,4-trimethoxyphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.