5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one
TL;DR: 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one (CAS 624724-66-9) is a chemical compound with molecular formula C30H26N4O5S2 and molecular weight 586.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one, (5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-((3-(4-ETHOXY-3-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-3-(2-(4-METHOXYPHENYL)ETHYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C30H26N4O5S2 |
|---|---|
| Molecular Weight | 586.13 g/mol |
| LogP | 6.2987 |
| Topological Polar Surface Area | 99.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.13446 |
| Heavy Atoms | 41 |
| Complexity | 1634.592 |
Chemical Identifiers
| CAS Number | 624724-66-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC)C5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one (CAS 624724-66-9), with molecular formula C30H26N4O5S2 and molecular weight 586.13 g/mol. IUPAC: (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one
Property Insights of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one
The XLogP value of 6.2987 indicates that 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one?
The CAS number of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one is 624724-66-9.
What is the molecular formula of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one?
The molecular formula of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one is C30H26N4O5S2.
What is the molecular weight of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one?
The molecular weight of 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one is 586.13 g/mol.
Where can I buy 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one?
You can request a quote for 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.