Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride
TL;DR: Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride (CAS 130623-16-4) is a chemical compound with molecular formula C14H19ClN2O2S and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-propoxyphenyl)ethanone;hydrochloride
Also Known As: Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride, Ethanone, 2-((4,5-dihydro-1H-imidazol-2-yl)thio)-1-(4-propoxyphenyl)-, monohydrochloride, 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)-1-(4-propoxyphenyl)ethanone monohydrochloride, 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-propoxyphenyl)ethanone hydrochloride, 2-[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]-1-(4-propoxyphenyl)ethan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C14H19ClN2O2S |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.7723 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.08557 |
| Heavy Atoms | 20 |
| Complexity | 462.74664 |
Chemical Identifiers
| CAS Number | 130623-16-4 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)CSC2=NCCN2.Cl |
Product Overview
Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride (CAS 130623-16-4), with molecular formula C14H19ClN2O2S and molecular weight 314.09 g/mol. IUPAC: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-propoxyphenyl)ethanone;hydrochloride.
Chemical Property Profile of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride
Property Insights of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride
The XLogP value of 2.7723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride. With a topological polar surface area (TPSA) of 50.69 Ų, Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride has 1 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 Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride?
The CAS number of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride is 130623-16-4.
What is the molecular formula of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride?
The molecular formula of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride is C14H19ClN2O2S.
What is the molecular weight of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride?
The molecular weight of Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride is 314.09 g/mol.
Where can I buy Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride?
You can request a quote for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-(2-imidazolin-2-ylthio)-4'-propoxy-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.