![(E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate structure](/static/products/353/353461-79-7.png)
(E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate
TL;DR: (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate (CAS 353461-79-7) is a chemical compound with molecular formula C31H33N3O3S and molecular weight 527.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2E)-5-amino-6-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, propan-2-yl (2E)-5-amino-6-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C31H33N3O3S |
|---|---|
| Molecular Weight | 527.22 g/mol |
| LogP | 4.53598 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.22424 |
| Heavy Atoms | 38 |
| Complexity | 1613.6338 |
Chemical Identifiers
| CAS Number | 353461-79-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=C(C(C(=C3S2)C(=O)OC(C)C)C4=CC=C(C=C4)C(C)C)C#N)N |
Product Overview
(E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate (CAS 353461-79-7), with molecular formula C31H33N3O3S and molecular weight 527.22 g/mol. IUPAC: propan-2-yl (2E)-5-amino-6-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate
Property Insights of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate
The XLogP value of 4.53598 indicates that (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate. Following Lipinski's Rule of Five, (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate?
The CAS number of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate is 353461-79-7.
What is the molecular formula of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular formula of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate is C31H33N3O3S.
What is the molecular weight of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular weight of (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate is 527.22 g/mol.
Where can I buy (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate?
You can request a quote for (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-isopropyl 5-amino-6-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.