![2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid structure](/static/products/7064/7064-26-8.webp)
2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
TL;DR: 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid (CAS 7064-26-8) is a chemical compound with molecular formula C27H29N5O4S2 and molecular weight 551.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propyl-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, (5-{[2-(4-Benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propyl-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
| Molecular Formula | C27H29N5O4S2 |
|---|---|
| Molecular Weight | 551.17 g/mol |
| LogP | 3.0464 |
| Topological Polar Surface Area | 109.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.1661 |
| Heavy Atoms | 38 |
| Complexity | 1388.9036 |
Chemical Identifiers
| CAS Number | 7064-26-8 |
|---|---|
| SMILES | CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC(=O)O)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid (CAS 7064-26-8), with molecular formula C27H29N5O4S2 and molecular weight 551.17 g/mol. IUPAC: 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propyl-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Property Insights of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
The XLogP value of 3.0464 indicates that 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid. Following Lipinski's Rule of Five, 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
The CAS number of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is 7064-26-8.
What is the molecular formula of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
The molecular formula of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is C27H29N5O4S2.
What is the molecular weight of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
The molecular weight of 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is 551.17 g/mol.
Where can I buy 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
You can request a quote for 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[[2-(4-benzylpiperazin-1-yl)-5-cyano-4-methyl-6-oxo-1-propylpyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.