![methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate structure](/static/products/353/353461-59-3.png)
methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
TL;DR: methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (CAS 353461-59-3) is a chemical compound with molecular formula C29H29N3O3S and molecular weight 499.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-5-amino-8-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Also Known As: methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate, (E)-methyl 5-amino-8-cyano-2-(4-isopropylbenzylidene)-7-(4-isopropylphenyl)-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate, methyl (2E)-5-amino-8-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
| Molecular Formula | C29H29N3O3S |
|---|---|
| Molecular Weight | 499.19 g/mol |
| LogP | 3.75738 |
| Topological Polar Surface Area | 98.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.19296 |
| Heavy Atoms | 36 |
| Complexity | 1564.7792 |
Chemical Identifiers
| CAS Number | 353461-59-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC=C(C=C4)C(C)C)C(=O)OC)N |
Product Overview
methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate (CAS 353461-59-3), with molecular formula C29H29N3O3S and molecular weight 499.19 g/mol. IUPAC: methyl (2E)-5-amino-8-cyano-3-oxo-7-(4-propan-2-ylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.
Chemical Property Profile of methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Property Insights of methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
The XLogP value of 3.75738 indicates that methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-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 methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate. Following Lipinski's Rule of Five, methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate 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 methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
The CAS number of methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is 353461-59-3.
What is the molecular formula of methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
The molecular formula of methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is C29H29N3O3S.
What is the molecular weight of methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
The molecular weight of methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate is 499.19 g/mol.
Where can I buy methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
You can request a quote for methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-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 (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-5-amino-8-cyano-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-[4-(propan-2-yl)phenyl]-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.