![(2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile structure](/static/products/799/799780-50-0.png)
(2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
TL;DR: (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile (CAS 799780-50-0) is a chemical compound with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
Also Known As: (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile, F3077-0157, (2Z)-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile, (Z)-2-(5-(3,4-dimethylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile, 2-[(2Z)-5-[(3,4-DIMETHYLPHENYL)METHYL]-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-3-OXOBUTANENITRILE
| Molecular Formula | C16H16N2O2S |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 2.40172 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.09326 |
| Heavy Atoms | 21 |
| Complexity | 686.0076 |
Chemical Identifiers
| CAS Number | 799780-50-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CC2C(=O)N/C(=C(\C#N)/C(=O)C)/S2)C |
Product Overview
(2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile (CAS 799780-50-0), with molecular formula C16H16N2O2S and molecular weight 300.09 g/mol. IUPAC: (2Z)-2-[5-[(3,4-dimethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile.
Chemical Property Profile of (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
Property Insights of (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
The XLogP value of 2.40172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile. Following Lipinski's Rule of Five, (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile has 1 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 (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile?
The CAS number of (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile is 799780-50-0.
What is the molecular formula of (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile?
The molecular formula of (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile is C16H16N2O2S.
What is the molecular weight of (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile?
The molecular weight of (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile is 300.09 g/mol.
Where can I buy (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile?
You can request a quote for (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[5-(3,4-dimethylbenzyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.