(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one (CAS 797017-71-1) is a chemical compound with molecular formula C29H33N3O3S2 and molecular weight 535.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxothiazolidin-4-one
| Molecular Formula | C29H33N3O3S2 |
|---|---|
| Molecular Weight | 535.20 g/mol |
| LogP | 6.19082 |
| Topological Polar Surface Area | 67.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 535.19635 |
| Heavy Atoms | 37 |
| Complexity | 1465.0548 |
Chemical Identifiers
| CAS Number | 797017-71-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)/SC3=S |
Product Overview
(5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one (CAS 797017-71-1), with molecular formula C29H33N3O3S2 and molecular weight 535.20 g/mol. IUPAC: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 6.19082 indicates that (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one is 797017-71-1.
What is the molecular formula of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one is C29H33N3O3S2.
What is the molecular weight of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one is 535.20 g/mol.
Where can I buy (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(3,5-di-tert-butyl-4-hydroxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.