![[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone structure](/static/products/3495/349540-87-0.webp)
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
TL;DR: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone (CAS 349540-87-0) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
Also Known As: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone, 4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl 2-methoxy-4-methylthioph enyl ketone, (4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)(2-methoxy-4-(methylthio)phenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][2-methoxy-4-(methylsulfanyl)phenyl]methanone, [4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanyl-phenyl)methanone
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.1038 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 865.47925 |
Chemical Identifiers
| CAS Number | 349540-87-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone (CAS 349540-87-0), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone.
Chemical Property Profile of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
Property Insights of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
The XLogP value of 3.1038 indicates that [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone 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 [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone?
The CAS number of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone is 349540-87-0.
What is the molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone?
The molecular formula of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone is C21H24N2O4S.
What is the molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone?
The molecular weight of [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone is 400.15 g/mol.
Where can I buy [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone?
You can request a quote for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.