(E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one
TL;DR: (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one (CAS 612052-77-4) is a chemical compound with molecular formula C28H26N4O4S and molecular weight 514.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-benzylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
Also Known As: (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one, (5E)-2-(4-benzylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one, (5E)-2-(4-benzylpiperazin-1-yl)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one, 2-(4-benzylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
| Molecular Formula | C28H26N4O4S |
|---|---|
| Molecular Weight | 514.17 g/mol |
| LogP | 4.9619 |
| Topological Polar Surface Area | 88.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.1675 |
| Heavy Atoms | 37 |
| Complexity | 1316.5529 |
Chemical Identifiers
| CAS Number | 612052-77-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)/C(=C\C4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])/S3 |
Product Overview
(E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one (CAS 612052-77-4), with molecular formula C28H26N4O4S and molecular weight 514.17 g/mol. IUPAC: (5E)-2-(4-benzylpiperazin-1-yl)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one
Property Insights of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one
The XLogP value of 4.9619 indicates that (E)-2-(4-benzylpiperazin-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 88.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one. Following Lipinski's Rule of Five, (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
The CAS number of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one is 612052-77-4.
What is the molecular formula of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
The molecular formula of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one is C28H26N4O4S.
What is the molecular weight of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
The molecular weight of (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one is 514.17 g/mol.
Where can I buy (E)-2-(4-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
You can request a quote for (E)-2-(4-benzylpiperazin-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-benzylpiperazin-1-yl)-5-(4-((4-nitrobenzyl)oxy)benzylidene)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-benzylpiperazin-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.