1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
TL;DR: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine (CAS 460046-49-5) is a chemical compound with molecular formula C20H22N2O6S and molecular weight 418.12 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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine, 1-(benzo[d][1,3]dioxol-5-ylmethyl)-4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)piperazine
| Molecular Formula | C20H22N2O6S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.11984 |
| Heavy Atoms | 29 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 460046-49-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5 |
| InChIKey | OPIFPBSNGMDHKO-UHFFFAOYSA-N |
Product Overview
1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine (CAS 460046-49-5), with molecular formula C20H22N2O6S and molecular weight 418.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine.
Chemical Property Profile of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
Property Insights of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine 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 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine?
The CAS number of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine is 460046-49-5.
What is the molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine?
The molecular formula of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine is C20H22N2O6S.
What is the molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine?
The molecular weight of 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine is 418.12 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine?
You can request a quote for 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)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-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.