![3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone structure](/static/products/5886/588675-51-8.webp)
3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone
TL;DR: 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone (CAS 588675-51-8) is a chemical compound with molecular formula C19H15Cl2FN2OS and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-fluoro-1-benzothiophen-2-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
Also Known As: Piperazine,1-[ carbonyl]-4- -, Piperazine, 1-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]-4-(3-chlorophenyl)- (9CI), 3-chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone, (3-chloro-4-fluoro-1-benzothiophen-2-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone, (3-chloro-4-fluoro-1-benzothiophen-2-yl)[4-(3-chlorophenyl)piperazin-1-yl]methanone
| Molecular Formula | C19H15Cl2FN2OS |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 5.3096 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.0266 |
| Heavy Atoms | 26 |
| Complexity | 982.8296 |
Chemical Identifiers
| CAS Number | 588675-51-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C4=C(C=CC=C4S3)F)Cl |
Product Overview
3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone (CAS 588675-51-8), with molecular formula C19H15Cl2FN2OS and molecular weight 408.03 g/mol. IUPAC: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone
Property Insights of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone
The XLogP value of 5.3096 indicates that 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone?
The CAS number of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone is 588675-51-8.
What is the molecular formula of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone?
The molecular formula of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone is C19H15Cl2FN2OS.
What is the molecular weight of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone?
The molecular weight of 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone is 408.03 g/mol.
Where can I buy 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone?
You can request a quote for 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluorobenzo[b]thiophen-2-yl 4-(3-chlorophenyl)piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.