(E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one
TL;DR: (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one (CAS 714930-95-7) is a chemical compound with molecular formula C22H22N4O5S and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one
Also Known As: (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one, F3044-0387, (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one, (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-4,5-dihydro-1,3-thiazol-4-one, (5E)-5-(3,4-dimethoxybenzylidene)-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one
| Molecular Formula | C22H22N4O5S |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 3.4045 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1311 |
| Heavy Atoms | 32 |
| Complexity | 1092.0001 |
Chemical Identifiers
| CAS Number | 714930-95-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
(E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one (CAS 714930-95-7), with molecular formula C22H22N4O5S and molecular weight 454.13 g/mol. IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-[4-(4-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4-one.
Chemical Property Profile of (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one
Property Insights of (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one
The XLogP value of 3.4045 indicates that (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one. Following Lipinski's Rule of Five, (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one 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)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one?
The CAS number of (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one is 714930-95-7.
What is the molecular formula of (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one?
The molecular formula of (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one is C22H22N4O5S.
What is the molecular weight of (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one?
The molecular weight of (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one is 454.13 g/mol.
Where can I buy (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one?
You can request a quote for (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)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)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3,4-dimethoxybenzylidene)-2-(4-(4-nitrophenyl)piperazin-1-yl)thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.