![methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate structure](/static/products/848/848869-59-0.png)
methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
TL;DR: methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CAS 848869-59-0) is a chemical compound with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C20H21N3O6S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1151 |
| Heavy Atoms | 30 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 848869-59-0 |
|---|---|
| SMILES | CC1C(=O)N2C(=C(C(C(=C2S1)C(=O)OC)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N |
| InChIKey | NDULPHWPXLMVSJ-UHFFFAOYSA-N |
Product Overview
methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CAS 848869-59-0), with molecular formula C20H21N3O6S and molecular weight 431.12 g/mol. IUPAC: methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Property Insights of methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate. The TPSA of 149.0 Ų indicates high polarity, suggesting methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate has 1 hydrogen bond donor(s) and 9 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 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The CAS number of methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is 848869-59-0.
What is the molecular formula of methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular formula of methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is C20H21N3O6S.
What is the molecular weight of methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular weight of methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is 431.12 g/mol.
Where can I buy methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
You can request a quote for methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]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 methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-6-cyano-2-methyl-3-oxo-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.