![(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one structure](/static/products/955/955893-63-7.png)
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 955893-63-7) is a chemical compound with molecular formula C27H18FN3O3S2 and molecular weight 515.08 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-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C27H18FN3O3S2 |
|---|---|
| Molecular Weight | 515.08 g/mol |
| LogP | 5.8085 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.07733 |
| Heavy Atoms | 36 |
| Complexity | 1517.2733 |
Chemical Identifiers
| CAS Number | 955893-63-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6)/SC3=S |
Product Overview
(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 955893-63-7), with molecular formula C27H18FN3O3S2 and molecular weight 515.08 g/mol. IUPAC: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 5.8085 indicates that (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-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 56.59 Ų, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-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 (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 955893-63-7.
What is the molecular formula of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is C27H18FN3O3S2.
What is the molecular weight of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 515.08 g/mol.
Where can I buy (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-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)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.