(Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
TL;DR: (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile (CAS 799782-86-8) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile
Also Known As: F3077-0153, (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile, 2-[(2Z)-5-[(2-METHYLPHENYL)METHYL]-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]-3-OXOBUTANENITRILE, (2Z)-2-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile, 2-(5-(2-Methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.0933 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 643.51874 |
Chemical Identifiers
| CAS Number | 799782-86-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CC2C(=O)N/C(=C(\C#N)/C(=O)C)/S2 |
Product Overview
(Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile (CAS 799782-86-8), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: (2Z)-2-[5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxobutanenitrile.
Chemical Property Profile of (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
Property Insights of (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile
The XLogP value of 2.0933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile. Following Lipinski's Rule of Five, (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-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 (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The CAS number of (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is 799782-86-8.
What is the molecular formula of (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular formula of (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is C15H14N2O2S.
What is the molecular weight of (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
The molecular weight of (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile is 286.08 g/mol.
Where can I buy (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
You can request a quote for (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-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 (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-(2-methylbenzyl)-4-oxothiazolidin-2-ylidene)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.