(2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile
TL;DR: (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile (CAS 799780-38-4) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile
Also Known As: VU0508480-1, (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile, 2-[(2Z)-5-BENZYL-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-3-OXOBUTANENITRILE, F3077-0156, (Z)-2-(5-benzyl-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
| Molecular Formula | C14H12N2O2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 1.78488 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06195 |
| Heavy Atoms | 19 |
| Complexity | 587.21356 |
Chemical Identifiers
| CAS Number | 799780-38-4 |
|---|---|
| SMILES | CC(=O)/C(=C\1/NC(=O)C(S1)CC2=CC=CC=C2)/C#N |
Product Overview
(2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile (CAS 799780-38-4), with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol. IUPAC: (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile.
Chemical Property Profile of (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile
Property Insights of (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile
The XLogP value of 1.78488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-2-(5-benzyl-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-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile. Following Lipinski's Rule of Five, (2Z)-2-(5-benzyl-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-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile?
The CAS number of (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile is 799780-38-4.
What is the molecular formula of (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular formula of (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile is C14H12N2O2S.
What is the molecular weight of (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular weight of (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile is 272.06 g/mol.
Where can I buy (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile?
You can request a quote for (2Z)-2-(5-benzyl-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-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.