![(5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid structure](/static/products/7064/7064-87-1.webp)
(5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
TL;DR: (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid (CAS 7064-87-1) is a chemical compound with molecular formula C29H32N4O4S2 and molecular weight 564.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid, 2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C29H32N4O4S2 |
|---|---|
| Molecular Weight | 564.19 g/mol |
| LogP | 4.5734 |
| Topological Polar Surface Area | 106.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 564.1865 |
| Heavy Atoms | 39 |
| Complexity | 1403.0916 |
Chemical Identifiers
| CAS Number | 7064-87-1 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC(=O)O)N3CCC(CC3)CC4=CC=CC=C4 |
Product Overview
(5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid (CAS 7064-87-1), with molecular formula C29H32N4O4S2 and molecular weight 564.19 g/mol. IUPAC: 2-[5-[[2-(4-benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Property Insights of (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
The XLogP value of 4.5734 indicates that (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-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 106.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid. Following Lipinski's Rule of Five, (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid has 1 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 (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
The CAS number of (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid is 7064-87-1.
What is the molecular formula of (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
The molecular formula of (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid is C29H32N4O4S2.
What is the molecular weight of (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
The molecular weight of (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid is 564.19 g/mol.
Where can I buy (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
You can request a quote for (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-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 (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-{[2-(4-Benzylpiperidin-1-yl)-1-butyl-5-cyano-4-methyl-6-oxo-1,6-dihydropyridin-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.