2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride
TL;DR: 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride (CAS 120944-29-8) is a chemical compound with molecular formula C22H26ClN3O2S and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one;hydrochloride
Also Known As: 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride, 4-(4-(Methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazolone hydrochloride, 4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one hydrochloride, 4-[4-(Methylsulfanyl)phenyl]-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2(3H)-one--hydrogen chloride (1/1), RefChem:241693
| Molecular Formula | C22H26ClN3O2S |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 4.1433 |
| Topological Polar Surface Area | 52.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.14343 |
| Heavy Atoms | 29 |
| Complexity | 948.19366 |
Chemical Identifiers
| CAS Number | 120944-29-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=C(OC(=O)N2)CCN3CCN(CC3)C4=CC=CC=C4.Cl |
Product Overview
2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride (CAS 120944-29-8), with molecular formula C22H26ClN3O2S and molecular weight 431.14 g/mol. IUPAC: 4-(4-methylsulfanylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-3H-1,3-oxazol-2-one;hydrochloride.
Chemical Property Profile of 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride
Property Insights of 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride
The XLogP value of 4.1433 indicates that 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.48 Ų, 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, 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 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride?
The CAS number of 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride is 120944-29-8.
What is the molecular formula of 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride?
The molecular formula of 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride is C22H26ClN3O2S.
What is the molecular weight of 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride?
The molecular weight of 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride is 431.14 g/mol.
Where can I buy 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride?
You can request a quote for 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Oxazolone, 4-(4-(methylthio)phenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.