(3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
TL;DR: (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CAS 898159-09-6) is a chemical compound with molecular formula C16H16ClFN2OS and molecular weight 338.07 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-prop-2-enylpiperazin-1-yl)methanone
Also Known As: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone, (3-chloro-4-fluoro-1-benzothiophen-2-yl)[4-(prop-2-en-1-yl)piperazin-1-yl]methanone, (3-chloro-4-fluoro-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone, 1-(3-CHLORO-4-FLUORO-1-BENZOTHIOPHENE-2-CARBONYL)-4-(PROP-2-EN-1-YL)PIPERAZINE
| Molecular Formula | C16H16ClFN2OS |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 3.6376 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.06558 |
| Heavy Atoms | 22 |
| Complexity | 722.24927 |
Chemical Identifiers
| CAS Number | 898159-09-6 |
|---|---|
| SMILES | C=CCN1CCN(CC1)C(=O)C2=C(C3=C(C=CC=C3S2)F)Cl |
Product Overview
(3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone (CAS 898159-09-6), with molecular formula C16H16ClFN2OS and molecular weight 338.07 g/mol. IUPAC: (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone.
Chemical Property Profile of (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
Property Insights of (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone
The XLogP value of 3.6376 indicates that (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone 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-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone has 0 hydrogen bond donor(s) and 3 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 (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The CAS number of (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is 898159-09-6.
What is the molecular formula of (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The molecular formula of (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is C16H16ClFN2OS.
What is the molecular weight of (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
The molecular weight of (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone is 338.07 g/mol.
Where can I buy (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
You can request a quote for (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone 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-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-4-fluoro-1-benzothiophen-2-yl)-(4-prop-2-enylpiperazin-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.