(E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
TL;DR: (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 577698-40-9) is a chemical compound with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
Also Known As: (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile, 3-[4-[(5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-{4-[(5E)-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
| Molecular Formula | C24H23N5O4S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 3.67538 |
| Topological Polar Surface Area | 112.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.14706 |
| Heavy Atoms | 34 |
| Complexity | 1147.381 |
Chemical Identifiers
| CAS Number | 577698-40-9 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C2=NC(=O)/C(=C\C3=CC=C(C=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])/S2 |
Product Overview
(E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 577698-40-9), with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol. IUPAC: 3-[4-[(5E)-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
Property Insights of (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
The XLogP value of 3.67538 indicates that (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile. Following Lipinski's Rule of Five, (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 8 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)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The CAS number of (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 577698-40-9.
What is the molecular formula of (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular formula of (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is C24H23N5O4S.
What is the molecular weight of (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular weight of (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 477.15 g/mol.
Where can I buy (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
You can request a quote for (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(5-(4-((4-nitrobenzyl)oxy)benzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.