1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine (CAS 349626-05-7) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 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-methylsulfonylpiperazine
Also Known As: BAS 03050182, BIM-0038897.P001, 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(methylsulfonyl)piperazine, 1-Benzo[1,3]dioxol-5-ylmethyl-4-methanesulfonyl-piperazine
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 0.4925 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 594.38873 |
Chemical Identifiers
| CAS Number | 349626-05-7 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine (CAS 349626-05-7), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine
The XLogP value of 0.4925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine. With a topological polar surface area (TPSA) of 59.08 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine 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-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine is 349626-05-7.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine is C13H18N2O4S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine is 298.10 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine 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-methylsulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-4-methylsulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.