![1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine structure](/static/products/7012/701238-14-4.webp)
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine (CAS 701238-14-4) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-benzylsulfonylethanone
Also Known As: BAS 09532953, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-benzylsulfonylethanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(benzylsulfonyl)ethanone, 1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-[benzylsulfonyl]et han-1-one
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 1.6745 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 969.8209 |
Chemical Identifiers
| CAS Number | 701238-14-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CS(=O)(=O)CC4=CC=CC=C4 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine (CAS 701238-14-4), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-benzylsulfonylethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine
The XLogP value of 1.6745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine has 0 hydrogen bond donor(s) and 6 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-[(benzylsulfonyl)acetyl]piperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine is 701238-14-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine is C21H24N2O5S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine is 416.14 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine 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-[(benzylsulfonyl)acetyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-[(benzylsulfonyl)acetyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.