4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid
TL;DR: 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid (CAS 620931-01-3) is a chemical compound with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutanoic acid
Also Known As: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutanoic acid, BAS 08748190, 4-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-4-oxobutanoic acid, 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutanoic acid, 4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-4-oxo-butyric acid
| Molecular Formula | C16H20N2O5 |
|---|---|
| Molecular Weight | 320.14 g/mol |
| LogP | 0.9243 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.1372 |
| Heavy Atoms | 23 |
| Complexity | 596.1334 |
Chemical Identifiers
| CAS Number | 620931-01-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)O |
Product Overview
4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid (CAS 620931-01-3), with molecular formula C16H20N2O5 and molecular weight 320.14 g/mol. IUPAC: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutanoic acid.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid
Property Insights of 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid
The XLogP value of 0.9243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic 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 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid?
The CAS number of 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid is 620931-01-3.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid?
The molecular formula of 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid is C16H20N2O5.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid?
The molecular weight of 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid is 320.14 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid?
You can request a quote for 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylmethyl)-gamma-oxo-1-piperazinebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.