(Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid
TL;DR: (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid (CAS 956183-20-3) is a chemical compound with molecular formula C32H36N4O6S2 and molecular weight 636.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Also Known As: (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid, 11-((5Z)-5-{[3-(4-ETHOXY-3-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)UNDECANOIC ACID, 11-[(5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid, 11-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
| Molecular Formula | C32H36N4O6S2 |
|---|---|
| Molecular Weight | 636.21 g/mol |
| LogP | 7.6429 |
| Topological Polar Surface Area | 127.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 636.20764 |
| Heavy Atoms | 44 |
| Complexity | 1522.1362 |
Chemical Identifiers
| CAS Number | 956183-20-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
(Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid (CAS 956183-20-3), with molecular formula C32H36N4O6S2 and molecular weight 636.21 g/mol. IUPAC: 11-[(5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.
Chemical Property Profile of (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid
Property Insights of (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid
The XLogP value of 7.6429 indicates that (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid. Following Lipinski's Rule of Five, (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid has 1 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 (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
The CAS number of (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is 956183-20-3.
What is the molecular formula of (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
The molecular formula of (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is C32H36N4O6S2.
What is the molecular weight of (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
The molecular weight of (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid is 636.21 g/mol.
Where can I buy (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
You can request a quote for (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-11-(5-((3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)undecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.