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Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate
TL;DR: Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate (CAS 664319-50-0) is a chemical compound with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]acetate
Also Known As: AH-487/41804401, ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate, ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]acetate, ethyl 2-(4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)sulfonyl)phenoxy)acetate
| Molecular Formula | C22H26N2O7S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 1.8637 |
| Topological Polar Surface Area | 94.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.14606 |
| Heavy Atoms | 32 |
| Complexity | 1048.4491 |
Chemical Identifiers
| CAS Number | 664319-50-0 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate (CAS 664319-50-0), with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol. IUPAC: ethyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenoxy]acetate.
Chemical Property Profile of Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate
Property Insights of Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate
The XLogP value of 1.8637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate. The TPSA of 94.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate. Following Lipinski's Rule of Five, Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate has 0 hydrogen bond donor(s) and 8 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 Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate?
The CAS number of Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate is 664319-50-0.
What is the molecular formula of Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate?
The molecular formula of Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate is C22H26N2O7S.
What is the molecular weight of Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate?
The molecular weight of Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate is 462.15 g/mol.
Where can I buy Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate?
You can request a quote for Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl}phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.