1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine (CAS 873580-03-1) is a chemical compound with molecular formula C21H26N2O5S and molecular weight 418.16 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-(2-ethoxy-5-methylphenyl)sulfonylpiperazine
Also Known As: ASN 12284440, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine, AP-263/43302585, 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-ethoxy-5-methylbenzenesulfonyl)piperazine, 1-Benzo[1,3]dioxol-5-ylmethyl-4-(2-ethoxy-5-methyl-benzenesulfonyl)-piperazine
| Molecular Formula | C21H26N2O5S |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 2.62892 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.15625 |
| Heavy Atoms | 29 |
| Complexity | 984.56116 |
Chemical Identifiers
| CAS Number | 873580-03-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine (CAS 873580-03-1), with molecular formula C21H26N2O5S and molecular weight 418.16 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine
The XLogP value of 2.62892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine 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-(2-ethoxy-5-methylphenyl)sulfonylpiperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine is 873580-03-1.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine is C21H26N2O5S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine is 418.16 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine 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-(2-ethoxy-5-methylphenyl)sulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-ethoxy-5-methylphenyl)sulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.