(E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
TL;DR: (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 634164-72-0) is a chemical compound with molecular formula C21H15N3O4S and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
Also Known As: (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate, methyl (2E)-{(2Z)-2-[1-cyano-2-oxo-2-(phenylamino)ethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}ethanoate, methyl (2E)-2-[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
| Molecular Formula | C21H15N3O4S |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 1.16548 |
| Topological Polar Surface Area | 101.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.07834 |
| Heavy Atoms | 29 |
| Complexity | 1269.4458 |
Chemical Identifiers
| CAS Number | 634164-72-0 |
|---|---|
| SMILES | COC(=O)/C=C/1\C(=O)N(/C(=C(\C#N)/C(=O)NC2=CC=CC=C2)/S1)C3=CC=CC=C3 |
Product Overview
(E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 634164-72-0), with molecular formula C21H15N3O4S and molecular weight 405.08 g/mol. IUPAC: methyl (2E)-2-[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
Property Insights of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
The XLogP value of 1.16548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate. The TPSA of 101.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate has 1 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-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The CAS number of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 634164-72-0.
What is the molecular formula of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular formula of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is C21H15N3O4S.
What is the molecular weight of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular weight of (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 405.08 g/mol.
Where can I buy (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
You can request a quote for (E)-methyl 2-((Z)-2-(1-cyano-2-oxo-2-(phenylamino)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-(phenylamino)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-(phenylamino)ethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.