Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester
TL;DR: Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester (CAS 156809-19-7) is a chemical compound with molecular formula C31H34N2O9 and molecular weight 578.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-benzodioxol-4-yl]-3,4,5-trimethoxybenzoate
Also Known As: Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester, (2-methylphenyl) 2-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-benzodioxol-4-yl]-3,4,5-trimethoxybenzoate, 2-Methylphenyl 2-{5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2H-1,3-benzodioxol-4-yl}-3,4,5-trimethoxybenzoate, RefChem:326772
| Molecular Formula | C31H34N2O9 |
|---|---|
| Molecular Weight | 578.23 g/mol |
| LogP | 3.38582 |
| Topological Polar Surface Area | 116.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 578.22644 |
| Heavy Atoms | 42 |
| Complexity | 1481.7134 |
Chemical Identifiers
| CAS Number | 156809-19-7 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2C3=C(C=CC4=C3OCO4)C(=O)N5CCN(CC5)CCO)OC)OC)OC |
Product Overview
Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester (CAS 156809-19-7), with molecular formula C31H34N2O9 and molecular weight 578.23 g/mol. IUPAC: (2-methylphenyl) 2-[5-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-1,3-benzodioxol-4-yl]-3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester
Property Insights of Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester
The XLogP value of 3.38582 indicates that Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester has 1 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 Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester?
The CAS number of Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester is 156809-19-7.
What is the molecular formula of Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester?
The molecular formula of Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester is C31H34N2O9.
What is the molecular weight of Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester?
The molecular weight of Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester is 578.23 g/mol.
Where can I buy Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester?
You can request a quote for Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 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 Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(5-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-1,3-benzodioxol-4-yl)-3,4,5-trimethoxy-, 2-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.