2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one
TL;DR: 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one (CAS 459175-32-7) is a chemical compound with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: VU0509267-1, 2-[(2,4-dinitrophenyl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one, 2-(2,4-dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one, F3103-0022, 2-(2,4-dinitrophenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C18H18N4O5S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 2.9439 |
| Topological Polar Surface Area | 109.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0998 |
| Heavy Atoms | 28 |
| Complexity | 884.7996 |
Chemical Identifiers
| CAS Number | 459175-32-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one (CAS 459175-32-7), with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol. IUPAC: 2-(2,4-dinitrophenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one
Property Insights of 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one
The XLogP value of 2.9439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one. The TPSA of 109.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one. Following Lipinski's Rule of Five, 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one has 0 hydrogen bond donor(s) and 7 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-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one?
The CAS number of 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one is 459175-32-7.
What is the molecular formula of 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one?
The molecular formula of 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one is C18H18N4O5S.
What is the molecular weight of 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one?
The molecular weight of 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one is 402.10 g/mol.
Where can I buy 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one?
You can request a quote for 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dinitrophenylthio)-1-(4-phenylpiperazinyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.