(E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
TL;DR: (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 371127-19-4) is a chemical compound with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5E)-5-[(2-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
Also Known As: (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile, 3-[4-[(5E)-5-[(2-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-[4-[5-[(2-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile, 3-{4-[(5E)-5-(2-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
| Molecular Formula | C21H26N4O2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 3.36708 |
| Topological Polar Surface Area | 68.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.17764 |
| Heavy Atoms | 28 |
| Complexity | 791.84045 |
Chemical Identifiers
| CAS Number | 371127-19-4 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1/C=C/2\C(=O)N=C(S2)N3CCN(CC3)CCC#N |
Product Overview
(E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile (CAS 371127-19-4), with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol. IUPAC: 3-[4-[(5E)-5-[(2-butoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile.
Chemical Property Profile of (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
Property Insights of (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile
The XLogP value of 3.36708 indicates that (E)-3-(4-(5-(2-butoxybenzylidene)-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 68.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile. Following Lipinski's Rule of Five, (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 6 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-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The CAS number of (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 371127-19-4.
What is the molecular formula of (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular formula of (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is C21H26N4O2S.
What is the molecular weight of (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
The molecular weight of (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile is 398.18 g/mol.
Where can I buy (E)-3-(4-(5-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
You can request a quote for (E)-3-(4-(5-(2-butoxybenzylidene)-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-(2-butoxybenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(4-(5-(2-butoxybenzylidene)-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.