1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester
TL;DR: 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester (CAS 156809-21-1) is a chemical compound with molecular formula C29H31NO9 and molecular weight 537.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 4-[6-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-2,3,4-trimethoxyphenyl]-1,3-benzodioxole-5-carboxylate
Also Known As: 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester, (2-methylphenyl) 4-[6-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-2,3,4-trimethoxyphenyl]-1,3-benzodioxole-5-carboxylate, 2-Methylphenyl 4-{6-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-2,3,4-trimethoxyphenyl}-2H-1,3-benzodioxole-5-carboxylate, RefChem:217931
| Molecular Formula | C29H31NO9 |
|---|---|
| Molecular Weight | 537.20 g/mol |
| LogP | 4.13642 |
| Topological Polar Surface Area | 121.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 537.1999 |
| Heavy Atoms | 39 |
| Complexity | 1414.3525 |
Chemical Identifiers
| CAS Number | 156809-21-1 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=C(C3=C(C=C2)OCO3)C4=C(C(=C(C=C4C(=O)NC(C)(C)CO)OC)OC)OC |
Product Overview
1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester (CAS 156809-21-1), with molecular formula C29H31NO9 and molecular weight 537.20 g/mol. IUPAC: (2-methylphenyl) 4-[6-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-2,3,4-trimethoxyphenyl]-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester
Property Insights of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester
The XLogP value of 4.13642 indicates that 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester?
The CAS number of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester is 156809-21-1.
What is the molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester?
The molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester is C29H31NO9.
What is the molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester?
The molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester is 537.20 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester?
You can request a quote for 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl 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-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxylic acid, 4-(6-(((1,1-dimethyl-2-hydroxyethyl)amino)carbonyl)-2,3,4-trimethoxyphenyl)-, 2-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.