1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine (CAS 428836-21-9) is a chemical compound with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(butan-2-yl)piperazine, 1-(benzo[1,3]dioxol-5-ylmethyl)-4-butan-2-yl-piperazine, 1-(1,3-BENZODIOXOL-5-YLMETHYL)-4-(SEC-BUTYL)PIPERAZINE, 1-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-4-(SEC-BUTYL)PIPERAZINE
| Molecular Formula | C16H24N2O2 |
|---|---|
| Molecular Weight | 276.18 g/mol |
| LogP | 2.3314 |
| Topological Polar Surface Area | 24.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.18378 |
| Heavy Atoms | 20 |
| Complexity | 455.79013 |
Chemical Identifiers
| CAS Number | 428836-21-9 |
|---|---|
| SMILES | CCC(C)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine (CAS 428836-21-9), with molecular formula C16H24N2O2 and molecular weight 276.18 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine
The XLogP value of 2.3314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine. With a topological polar surface area (TPSA) of 24.94 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine has 0 hydrogen bond donor(s) and 4 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 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine is 428836-21-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine is C16H24N2O2.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine is 276.18 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-butan-2-ylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.