(E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
TL;DR: (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 587007-54-3) is a chemical compound with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
Also Known As: (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile, 3-[4-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
| Molecular Formula | C17H17N5O4S |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 1.80198 |
| Topological Polar Surface Area | 123.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.10013 |
| Heavy Atoms | 27 |
| Complexity | 868.565 |
Chemical Identifiers
| CAS Number | 587007-54-3 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C2=NC(=O)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/S2 |
Product Overview
(E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 587007-54-3), with molecular formula C17H17N5O4S and molecular weight 387.10 g/mol. IUPAC: 3-[4-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
Property Insights of (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
The XLogP value of 1.80198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile. The TPSA of 123.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile. Following Lipinski's Rule of Five, (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile has 1 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-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The CAS number of (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 587007-54-3.
What is the molecular formula of (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular formula of (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is C17H17N5O4S.
What is the molecular weight of (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular weight of (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 387.10 g/mol.
Where can I buy (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
You can request a quote for (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-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-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(5-(4-hydroxy-3-nitrobenzylidene)-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.