![[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone structure](/static/products/4384/438477-80-6.webp)
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
TL;DR: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone (CAS 438477-80-6) is a chemical compound with molecular formula C24H26N2O4 and molecular weight 406.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
Also Known As: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]methanone, [4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methanone
| Molecular Formula | C24H26N2O4 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 2.4957 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.18927 |
| Heavy Atoms | 30 |
| Complexity | 974.99115 |
Chemical Identifiers
| CAS Number | 438477-80-6 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O |
Product Overview
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone (CAS 438477-80-6), with molecular formula C24H26N2O4 and molecular weight 406.19 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone.
Chemical Property Profile of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
Property Insights of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
The XLogP value of 2.4957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone. Following Lipinski's Rule of Five, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone 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)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone?
The CAS number of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone is 438477-80-6.
What is the molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone?
The molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone is C24H26N2O4.
What is the molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone?
The molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone is 406.19 g/mol.
Where can I buy [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone?
You can request a quote for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone 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)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.