![1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone structure](/static/products/831/831247-92-8.png)
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone
TL;DR: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone (CAS 831247-92-8) is a chemical compound with molecular formula C25H31N3O6S and molecular weight 501.19 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-(4-piperidin-1-ylsulfonylphenoxy)ethanone
Also Known As: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-(piperidin-1-ylsulfonyl)phenoxy]ethanone, 1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-[4-(1-piperidylsulfonyl)phenoxy]ethanone
| Molecular Formula | C25H31N3O6S |
|---|---|
| Molecular Weight | 501.19 g/mol |
| LogP | 2.3131 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.19336 |
| Heavy Atoms | 35 |
| Complexity | 1140.2921 |
Chemical Identifiers
| CAS Number | 831247-92-8 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
Product Overview
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone (CAS 831247-92-8), with molecular formula C25H31N3O6S and molecular weight 501.19 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone.
Chemical Property Profile of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone
Property Insights of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone
The XLogP value of 2.3131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone. Following Lipinski's Rule of Five, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone?
The CAS number of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone is 831247-92-8.
What is the molecular formula of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone?
The molecular formula of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone is C25H31N3O6S.
What is the molecular weight of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone?
The molecular weight of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone is 501.19 g/mol.
Where can I buy 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone?
You can request a quote for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.