![(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one structure](/static/products/850/850900-08-2.png)
(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 850900-08-2) is a chemical compound with molecular formula C29H23N3O4S2 and molecular weight 541.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C29H23N3O4S2 |
|---|---|
| Molecular Weight | 541.11 g/mol |
| LogP | 6.0681 |
| Topological Polar Surface Area | 65.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.113 |
| Heavy Atoms | 38 |
| Complexity | 1548.0538 |
Chemical Identifiers
| CAS Number | 850900-08-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 |
Product Overview
(Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 850900-08-2), with molecular formula C29H23N3O4S2 and molecular weight 541.11 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 6.0681 indicates that (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 850900-08-2.
What is the molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is C29H23N3O4S2.
What is the molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 541.11 g/mol.
Where can I buy (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-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 (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-ethoxyphenyl)-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.