![5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid structure](/static/products/4150/41504-60-3.webp)
5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
TL;DR: 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 41504-60-3) is a chemical compound with molecular formula C12H14N2O3S2 and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid, 2-[5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C12H14N2O3S2 |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 1.4247 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0446 |
| Heavy Atoms | 19 |
| Complexity | 499.20297 |
Chemical Identifiers
| CAS Number | 41504-60-3 |
|---|---|
| SMILES | CN1CCCC1=CC=C2C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid (CAS 41504-60-3), with molecular formula C12H14N2O3S2 and molecular weight 298.04 g/mol. IUPAC: 2-[5-[2-(1-methylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
Property Insights of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
The XLogP value of 1.4247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid. Following Lipinski's Rule of Five, 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The CAS number of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is 41504-60-3.
What is the molecular formula of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The molecular formula of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is C12H14N2O3S2.
What is the molecular weight of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
The molecular weight of 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid is 298.04 g/mol.
Where can I buy 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
You can request a quote for 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic 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-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(1-Methyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.