![3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID structure](/static/products/623/623940-52-3.png)
3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID
TL;DR: 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID (CAS 623940-52-3) 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-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID, 3-(5-((3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-((5Z)-5-((3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)propanoic acid, 3-[(5Z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5Z)-5-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C27H27N3O4S2 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 5.70252 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.1443 |
| Heavy Atoms | 36 |
| Complexity | 1317.8079 |
Chemical Identifiers
| CAS Number | 623940-52-3 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4)C |
Product Overview
3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID (CAS 623940-52-3), with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol. IUPAC: 3-[(5Z)-5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID
Property Insights of 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID
The XLogP value of 5.70252 indicates that 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-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-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID. Following Lipinski's Rule of Five, 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-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-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID?
The CAS number of 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID is 623940-52-3.
What is the molecular formula of 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID?
The molecular formula of 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID is C27H27N3O4S2.
What is the molecular weight of 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID?
The molecular weight of 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID is 521.14 g/mol.
Where can I buy 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID?
You can request a quote for 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-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-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 3-((5Z)-5-{[3-(4-BUTOXY-3-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-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.