![[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone structure](/static/products/6631/663188-00-9.webp)
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
TL;DR: [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone (CAS 663188-00-9) is a chemical compound with molecular formula C21H24N2O3S and molecular weight 384.15 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-ethylsulfanylphenyl)methanone
Also Known As: BAS 07857825, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone, [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone, 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-(ethylthio)benzoyl]piperazine, [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][2-(ethylsulfanyl)phenyl]methanone
| Molecular Formula | C21H24N2O3S |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 3.4853 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.15076 |
| Heavy Atoms | 27 |
| Complexity | 818.82404 |
Chemical Identifiers
| CAS Number | 663188-00-9 |
|---|---|
| SMILES | CCSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone (CAS 663188-00-9), with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol. IUPAC: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone.
Chemical Property Profile of [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
Property Insights of [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
The XLogP value of 3.4853 indicates that [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone 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 [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone?
The CAS number of [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone is 663188-00-9.
What is the molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone?
The molecular formula of [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone is C21H24N2O3S.
What is the molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone?
The molecular weight of [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone is 384.15 g/mol.
Where can I buy [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone?
You can request a quote for [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]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)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.