1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine (CAS 428844-47-7) is a chemical compound with molecular formula C15H22N2O4S and molecular weight 326.13 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-propylsulfonylpiperazine
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(propylsulfonyl)piperazine, 1-(benzo[1,3]dioxol-5-ylmethyl)-4-propylsulfonyl-piperazine, 1-(2H-1,3-BENZODIOXOL-5-YLMETHYL)-4-(PROPANE-1-SULFONYL)PIPERAZINE
| Molecular Formula | C15H22N2O4S |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.13004 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 428844-47-7 |
|---|---|
| SMILES | CCCS(=O)(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 |
| InChIKey | RDYFTHBVAMMQQS-UHFFFAOYSA-N |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine (CAS 428844-47-7), with molecular formula C15H22N2O4S and molecular weight 326.13 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine 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-propylsulfonylpiperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine is 428844-47-7.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine is C15H22N2O4S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine is 326.13 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine 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-propylsulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-propylsulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.