(E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one
TL;DR: (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one (CAS 371138-96-4) is a chemical compound with molecular formula C23H22N4O5S and molecular weight 466.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-acetylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
Also Known As: (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one, AB00686049-01, F1436-0442, (5E)-2-(4-acetylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one, (5E)-2-(4-acetylpiperazin-1-yl)-5-({4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4,5-dihydro-1,3-thiazol-4-one
| Molecular Formula | C23H22N4O5S |
|---|---|
| Molecular Weight | 466.13 g/mol |
| LogP | 3.3082 |
| Topological Polar Surface Area | 105.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.1311 |
| Heavy Atoms | 33 |
| Complexity | 1120.5457 |
Chemical Identifiers
| CAS Number | 371138-96-4 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=NC(=O)/C(=C\C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])/S2 |
Product Overview
(E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one (CAS 371138-96-4), with molecular formula C23H22N4O5S and molecular weight 466.13 g/mol. IUPAC: (5E)-2-(4-acetylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one
Property Insights of (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one
The XLogP value of 3.3082 indicates that (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one. Following Lipinski's Rule of Five, (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-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 (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
The CAS number of (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one is 371138-96-4.
What is the molecular formula of (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
The molecular formula of (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one is C23H22N4O5S.
What is the molecular weight of (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
The molecular weight of (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one is 466.13 g/mol.
Where can I buy (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
You can request a quote for (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-acetylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.