![(5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one structure](/static/products/1003/1003987-65-2.webp)
(5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one (CAS 1003987-65-2) is a chemical compound with molecular formula C26H26N4O3S3 and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((3-(3-(azepan-1-ylsulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one
| Molecular Formula | C26H26N4O3S3 |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 4.935 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.1167 |
| Heavy Atoms | 36 |
| Complexity | 1440.0723 |
Chemical Identifiers
| CAS Number | 1003987-65-2 |
|---|---|
| SMILES | CN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5)/SC1=S |
Product Overview
(5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one (CAS 1003987-65-2), with molecular formula C26H26N4O3S3 and molecular weight 538.12 g/mol. IUPAC: (5Z)-5-[[3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 4.935 indicates that (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-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)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 1003987-65-2.
What is the molecular formula of (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is C26H26N4O3S3.
What is the molecular weight of (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one is 538.12 g/mol.
Where can I buy (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-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)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-({3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.