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1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine
TL;DR: 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine (CAS 346725-52-8) is a chemical compound with molecular formula C18H20N2O4S and molecular weight 360.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine
Also Known As: BAS 02500621, UPCMLD0ENAT5736767:001, 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine, BIM-0041496.P001, 1-(1,3-benzodioxol-5-ylmethyl)-4-(phenylsulfonyl)piperazine
| Molecular Formula | C18H20N2O4S |
|---|---|
| Molecular Weight | 360.11 g/mol |
| LogP | 1.9218 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.11438 |
| Heavy Atoms | 25 |
| Complexity | 846.6347 |
Chemical Identifiers
| CAS Number | 346725-52-8 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine (CAS 346725-52-8), with molecular formula C18H20N2O4S and molecular weight 360.11 g/mol. IUPAC: 1-(benzenesulfonyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine.
Chemical Property Profile of 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine
Property Insights of 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine
The XLogP value of 1.9218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine. With a topological polar surface area (TPSA) of 59.08 Ų, 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-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-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine?
The CAS number of 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine is 346725-52-8.
What is the molecular formula of 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine?
The molecular formula of 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine is C18H20N2O4S.
What is the molecular weight of 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine?
The molecular weight of 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine is 360.11 g/mol.
Where can I buy 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine?
You can request a quote for 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzenesulfonyl-4-benzo[1,3]dioxol-5-ylmethyl-piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.