![2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile structure](/static/products/5925/592540-22-2.webp)
2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
TL;DR: 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile (CAS 592540-22-2) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
Also Known As: 2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile, BAS 06994719, 2-((2,4-Dioxothiazolidin-3-yl)methyl)benzonitrile, 2-(2,4-Dioxo-thiazolidin-3-ylmethyl)-benzonitrile, 2-[(2,4-dioxothiazolidin-3-yl)methyl]benzonitrile
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 1.75368 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 477.00308 |
Chemical Identifiers
| CAS Number | 592540-22-2 |
|---|---|
| SMILES | C1C(=O)N(C(=O)S1)CC2=CC=CC=C2C#N |
Product Overview
2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile (CAS 592540-22-2), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: 2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile.
Chemical Property Profile of 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
Property Insights of 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
The XLogP value of 1.75368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile?
The CAS number of 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile is 592540-22-2.
What is the molecular formula of 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile?
The molecular formula of 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile is C11H8N2O2S.
What is the molecular weight of 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile?
The molecular weight of 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile is 232.03 g/mol.
Where can I buy 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile?
You can request a quote for 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.