![2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid structure](/static/products/4970/497083-19-9.webp)
2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid
TL;DR: 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid (CAS 497083-19-9) is a chemical compound with molecular formula C20H26N2O5 and molecular weight 374.18 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]cyclohexane-1-carboxylic acid
Also Known As: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexane-1-carboxylic acid, 2-{[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid, 2-((4-(Benzo[3,4-d]1,3-dioxolan-5-ylmethyl)piperazinyl)carbonyl)cyclohexanecarboxylic acid, AO-990/37423031, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C20H26N2O5 |
|---|---|
| Molecular Weight | 374.18 g/mol |
| LogP | 1.9505 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.18417 |
| Heavy Atoms | 27 |
| Complexity | 714.32367 |
Chemical Identifiers
| CAS Number | 497083-19-9 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C(=O)O |
Product Overview
2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid (CAS 497083-19-9), with molecular formula C20H26N2O5 and molecular weight 374.18 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid
Property Insights of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid
The XLogP value of 1.9505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic 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}cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic 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}cyclohexanecarboxylic acid?
The CAS number of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid is 497083-19-9.
What is the molecular formula of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid?
The molecular formula of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid is C20H26N2O5.
What is the molecular weight of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid?
The molecular weight of 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid is 374.18 g/mol.
Where can I buy 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid?
You can request a quote for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic 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}cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazino]carbonyl}cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.