![5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one structure](/static/products/6612/6612-75-5.webp)
5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
TL;DR: 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 6612-75-5) is a chemical compound with molecular formula C32H39N3O2S2 and molecular weight 561.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C32H39N3O2S2 |
|---|---|
| Molecular Weight | 561.25 g/mol |
| LogP | 8.58832 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 561.24835 |
| Heavy Atoms | 39 |
| Complexity | 1299.9979 |
Chemical Identifiers
| CAS Number | 6612-75-5 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC(=C(C=C3)OCCCC)C)C4=CC=CC=C4)SC1=S |
Product Overview
5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 6612-75-5), with molecular formula C32H39N3O2S2 and molecular weight 561.25 g/mol. IUPAC: 5-[[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
Property Insights of 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
The XLogP value of 8.58832 indicates that 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one has 0 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 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The CAS number of 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one is 6612-75-5.
What is the molecular formula of 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular formula of 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one is C32H39N3O2S2.
What is the molecular weight of 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular weight of 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one is 561.25 g/mol.
Where can I buy 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
You can request a quote for 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-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 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-{[3-(4-Butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.