![3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid structure](/static/products/955/955872-65-8.png)
3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
TL;DR: 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 955872-65-8) is a chemical compound with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(5-((3-(4-isobutoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl}methylene)- 4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C27H27N3O4S2 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 5.55842 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.1443 |
| Heavy Atoms | 36 |
| Complexity | 1332.0416 |
Chemical Identifiers
| CAS Number | 955872-65-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4)OCC(C)C |
Product Overview
3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 955872-65-8), with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol. IUPAC: 3-[(5Z)-5-[[3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Property Insights of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
The XLogP value of 5.55842 indicates that 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The CAS number of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 955872-65-8.
What is the molecular formula of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular formula of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is C27H27N3O4S2.
What is the molecular weight of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular weight of 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 521.14 g/mol.
Where can I buy 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
You can request a quote for 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5Z)-5-({3-[3-methyl-4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.