1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine
TL;DR: 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine (CAS 1002444-30-5) is a chemical compound with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
Also Known As: 1-(1,3-dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine, 1,3-benzodioxol-5-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
| Molecular Formula | C20H20N2O5S |
|---|---|
| Molecular Weight | 400.11 g/mol |
| LogP | 2.1738 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.10928 |
| Heavy Atoms | 28 |
| Complexity | 996.51105 |
Chemical Identifiers
| CAS Number | 1002444-30-5 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)/C=C/C4=CC=CC=C4 |
Product Overview
1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine (CAS 1002444-30-5), with molecular formula C20H20N2O5S and molecular weight 400.11 g/mol. IUPAC: 1,3-benzodioxol-5-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
Chemical Property Profile of 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine
Property Insights of 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine
The XLogP value of 2.1738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine has 0 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 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine?
The CAS number of 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine is 1002444-30-5.
What is the molecular formula of 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine?
The molecular formula of 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine is C20H20N2O5S.
What is the molecular weight of 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine?
The molecular weight of 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine is 400.11 g/mol.
Where can I buy 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine?
You can request a quote for 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)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-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dioxaindane-5-carbonyl)-4-(2-phenylethenesulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.