![methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate structure](/static/products/353/353461-58-2.png)
methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
TL;DR: methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (CAS 353461-58-2) is a chemical compound with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-5-amino-8-cyano-7-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Also Known As: methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate, methyl (2Z)-5-amino-8-cyano-7-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
| Molecular Formula | C27H25N3O5S |
|---|---|
| Molecular Weight | 503.15 g/mol |
| LogP | 2.30798 |
| Topological Polar Surface Area | 116.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1515 |
| Heavy Atoms | 36 |
| Complexity | 1541.0437 |
Chemical Identifiers
| CAS Number | 353461-58-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=C(C=C4)OCC)C(=O)OC)N |
Product Overview
methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (CAS 353461-58-2), with molecular formula C27H25N3O5S and molecular weight 503.15 g/mol. IUPAC: methyl (2Z)-5-amino-8-cyano-7-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.
Chemical Property Profile of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Property Insights of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
The XLogP value of 2.30798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate. The TPSA of 116.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
The CAS number of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is 353461-58-2.
What is the molecular formula of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
The molecular formula of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is C27H25N3O5S.
What is the molecular weight of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
The molecular weight of methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is 503.15 g/mol.
Where can I buy methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
You can request a quote for methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-8-cyano-2-(4-ethoxybenzylidene)-7-(4-ethoxyphenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.