Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate
TL;DR: Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate (CAS 133713-10-7) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate
Also Known As: Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate, methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolan-2-yliden)acetate, Methyl 2-nitrilo-2-(4-oxo-5-phenyl(2,5-thiazolidinylidene))acetate, methyl 2-cyano-2-[(2E)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetate
| Molecular Formula | C13H10N2O3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 1.67458 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0412 |
| Heavy Atoms | 19 |
| Complexity | 589.65594 |
Chemical Identifiers
| CAS Number | 133713-10-7 |
|---|---|
| SMILES | COC(=O)C(=C1N(C(=O)CS1)C2=CC=CC=C2)C#N |
Product Overview
Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate (CAS 133713-10-7), with molecular formula C13H10N2O3S and molecular weight 274.04 g/mol. IUPAC: methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate.
Chemical Property Profile of Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate
Property Insights of Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate
The XLogP value of 1.67458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate. Following Lipinski's Rule of Five, Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate?
The CAS number of Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate is 133713-10-7.
What is the molecular formula of Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate?
The molecular formula of Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate is C13H10N2O3S.
What is the molecular weight of Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate?
The molecular weight of Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate is 274.04 g/mol.
Where can I buy Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate?
You can request a quote for Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.