3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 307953-09-9) is a chemical compound with molecular formula C26H27N3OS2 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(2-methylpropyl)-5-{[1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C26H27N3OS2 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 6.32176 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.15955 |
| Heavy Atoms | 32 |
| Complexity | 1202.119 |
Chemical Identifiers
| CAS Number | 307953-09-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC(C)C)C4=CC=CC=C4)C |
Product Overview
3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 307953-09-9), with molecular formula C26H27N3OS2 and molecular weight 461.16 g/mol. IUPAC: (5Z)-3-(2-methylpropyl)-5-[[1-phenyl-3-(2,4,6-trimethylphenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 6.32176 indicates that 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 307953-09-9.
What is the molecular formula of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is C26H27N3OS2.
What is the molecular weight of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 461.16 g/mol.
Where can I buy 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-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 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutyl-5-((3-mesityl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.