(E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate
TL;DR: (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate (CAS 850744-07-9) is a chemical compound with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(2E)-2-[1-cyano-2-oxo-2-(2-phenylethylamino)ethylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
Also Known As: (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate, methyl (2E)-2-[(2E)-2-[1-cyano-2-oxo-2-(phenethylamino)ethylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
| Molecular Formula | C24H21N3O4S |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 1.1941 |
| Topological Polar Surface Area | 101.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.12527 |
| Heavy Atoms | 32 |
| Complexity | 1347.4563 |
Chemical Identifiers
| CAS Number | 850744-07-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N\2C(=O)/C(=C\C(=O)OC)/S/C2=C(\C#N)/C(=O)NCCC3=CC=CC=C3 |
Product Overview
(E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate (CAS 850744-07-9), with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol. IUPAC: methyl (2E)-2-[(2E)-2-[1-cyano-2-oxo-2-(2-phenylethylamino)ethylidene]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate
Property Insights of (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate
The XLogP value of 1.1941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate. The TPSA of 101.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-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-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate?
The CAS number of (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate is 850744-07-9.
What is the molecular formula of (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate?
The molecular formula of (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate is C24H21N3O4S.
What is the molecular weight of (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate?
The molecular weight of (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate is 447.13 g/mol.
Where can I buy (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate?
You can request a quote for (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-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-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((E)-2-(1-cyano-2-oxo-2-(phenethylamino)ethylidene)-4-oxo-3-(p-tolyl)thiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.