Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride
TL;DR: Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride (CAS 150915-53-0) is a chemical compound with molecular formula C21H29ClN2OS2 and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propylsulfanyl]thiophen-2-yl]ethanone;hydrochloride
Also Known As: Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride, 1-(3-((5-Acetyl-2-thienyl)thio)propyl)-4-(2,3-dimethylphenyl)piperazine hydrochloride, 1-[5-({3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]propyl}sulfanyl)thiophen-2-yl]ethan-1-one--hydrogen chloride (1/1), 1-[5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propylsulfanyl]thiophen-2-yl]ethanone hydrochloride, Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, hydrochloride (1:1)
| Molecular Formula | C21H29ClN2OS2 |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 5.29374 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.141 |
| Heavy Atoms | 27 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 150915-53-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)CCCSC3=CC=C(S3)C(=O)C)C.Cl |
| InChIKey | XTGHTGPJKGLMID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride (CAS 150915-53-0), with molecular formula C21H29ClN2OS2 and molecular weight 424.14 g/mol. IUPAC: 1-[5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propylsulfanyl]thiophen-2-yl]ethanone;hydrochloride.
Chemical Property Profile of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride
Property Insights of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride
The XLogP value of 5.29374 indicates that Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride. Following Lipinski's Rule of Five, Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride?
The CAS number of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride is 150915-53-0.
What is the molecular formula of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride?
The molecular formula of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride is C21H29ClN2OS2.
What is the molecular weight of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride?
The molecular weight of Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride is 424.14 g/mol.
Where can I buy Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride?
You can request a quote for Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(5-((3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)thio)-2-thienyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.