![2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid structure](/static/products/3030/303017-85-8.webp)
2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid
TL;DR: 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid (CAS 303017-85-8) is a chemical compound with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]benzoic acid
Also Known As: AE-848/37247040, 2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]benzoic acid, 2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazine-1-carbonyl]benzoic Acid, 2-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}benzoic acid
| Molecular Formula | C20H20N2O5 |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 2.0715 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.1372 |
| Heavy Atoms | 27 |
| Complexity | 874.42584 |
Chemical Identifiers
| CAS Number | 303017-85-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4C(=O)O |
Product Overview
2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid (CAS 303017-85-8), with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]benzoic acid.
Chemical Property Profile of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid
Property Insights of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid
The XLogP value of 2.0715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid has 1 hydrogen bond donor(s) and 5 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 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid?
The CAS number of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid is 303017-85-8.
What is the molecular formula of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid?
The molecular formula of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid is C20H20N2O5.
What is the molecular weight of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid?
The molecular weight of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid is 368.14 g/mol.
Where can I buy 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid?
You can request a quote for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.