![4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile structure](/static/products/866/866019-15-0.png)
4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile
TL;DR: 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile (CAS 866019-15-0) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile
Also Known As: Bionet2_001141, 4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile, 4-[(3-methyl-2,4-dioxo-1,3-thiazolan-5-yl)methyl]benzenecarbonitrile, 4W-0835, 4-[(3-methyl-2,4-dioxo-thiazolidin-5-yl)methyl]benzonitrile
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 1.79458 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 504.23206 |
Chemical Identifiers
| CAS Number | 866019-15-0 |
|---|---|
| SMILES | CN1C(=O)C(SC1=O)CC2=CC=C(C=C2)C#N |
Product Overview
4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile (CAS 866019-15-0), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile.
Chemical Property Profile of 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile
Property Insights of 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile
The XLogP value of 1.79458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-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 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile?
The CAS number of 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile is 866019-15-0.
What is the molecular formula of 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile?
The molecular formula of 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile is C12H10N2O2S.
What is the molecular weight of 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile?
The molecular weight of 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile is 246.05 g/mol.
Where can I buy 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile?
You can request a quote for 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-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 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Methyl-2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.