![2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone structure](/static/products/6944/694463-93-9.webp)
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CAS 694463-93-9) is a chemical compound with molecular formula C19H18FN3OS2 and molecular weight 387.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone, 2-(benzo[d]thiazol-2-ylthio)-1-(4-(4-fluorophenyl)piperazin-1-yl)ethanone, 2-benzothiazol-2-ylthio-1-[4-(4-fluorophenyl)piperazinyl]ethan-1-one, 2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-1-[4-(4-FLUOROPHENYL)PIPERAZINO]-1-ETHANONE
| Molecular Formula | C19H18FN3OS2 |
|---|---|
| Molecular Weight | 387.09 g/mol |
| LogP | 3.8763 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.08752 |
| Heavy Atoms | 26 |
| Complexity | 871.54803 |
Chemical Identifiers
| CAS Number | 694463-93-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4S3 |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CAS 694463-93-9), with molecular formula C19H18FN3OS2 and molecular weight 387.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
The XLogP value of 3.8763 indicates that 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone 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 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is 694463-93-9.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is C19H18FN3OS2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is 387.09 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.