(E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
TL;DR: (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 799809-82-8) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(2Z)-2-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
Also Known As: (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate, methyl (2E)-{(2Z)-2-[1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}ethanoate, methyl (2E)-2-[(2Z)-2-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate, methyl 2-[2-(1-cyano-2-oxo-2-piperidylethylidene)-4-oxo-3-phenyl-1,3-thiazolid in-5-ylidene]acetate
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 0.53928 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 1103.0452 |
Chemical Identifiers
| CAS Number | 799809-82-8 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)N(/C(=C(\C#N)/C(=O)N2CCCCC2)/S1)C3=CC=CC=C3 |
Product Overview
(E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 799809-82-8), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: methyl (2E)-2-[(2Z)-2-(1-cyano-2-oxo-2-piperidin-1-ylethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
Property Insights of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
The XLogP value of 0.53928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate has 0 hydrogen bond donor(s) and 6 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 (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The CAS number of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 799809-82-8.
What is the molecular formula of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular formula of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is C20H19N3O4S.
What is the molecular weight of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular weight of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 397.11 g/mol.
Where can I buy (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
You can request a quote for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(piperidin-1-yl)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.