5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one
TL;DR: 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one (CAS 623936-41-4) is a chemical compound with molecular formula C29H31N3O3S2 and molecular weight 533.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one, (5Z)-5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methyle NE)-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-({3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(3-ISOBUTOXY-2-METHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLE NE}-3-(TETRAHYDRO-2-FURANYLMETHYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C29H31N3O3S2 |
|---|---|
| Molecular Weight | 533.18 g/mol |
| LogP | 6.26272 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.18066 |
| Heavy Atoms | 37 |
| Complexity | 1327.4198 |
Chemical Identifiers
| CAS Number | 623936-41-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1OCC(C)C)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5 |
Product Overview
5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one (CAS 623936-41-4), with molecular formula C29H31N3O3S2 and molecular weight 533.18 g/mol. IUPAC: (5Z)-5-[[3-[2-methyl-3-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one
Property Insights of 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one
The XLogP value of 6.26272 indicates that 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-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 56.59 Ų, 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one has 0 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 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one?
The CAS number of 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one is 623936-41-4.
What is the molecular formula of 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one?
The molecular formula of 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one is C29H31N3O3S2.
What is the molecular weight of 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one?
The molecular weight of 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one is 533.18 g/mol.
Where can I buy 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one?
You can request a quote for 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-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 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-(3-Isobutoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.