![methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate structure](/static/products/861/861146-32-9.png)
methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
TL;DR: methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CAS 861146-32-9) is a chemical compound with molecular formula C17H13ClFN3O3S and molecular weight 393.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate, methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C17H13ClFN3O3S |
|---|---|
| Molecular Weight | 393.04 g/mol |
| LogP | 2.61868 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.035 |
| Heavy Atoms | 26 |
| Complexity | 917.4211 |
Chemical Identifiers
| CAS Number | 861146-32-9 |
|---|---|
| SMILES | CC1C(=O)N2C(=C(C(C(=C2S1)C(=O)OC)C3=C(C=CC=C3Cl)F)C#N)N |
Product Overview
methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate (CAS 861146-32-9), with molecular formula C17H13ClFN3O3S and molecular weight 393.04 g/mol. IUPAC: methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Property Insights of methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
The XLogP value of 2.61868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate. Following Lipinski's Rule of Five, methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-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 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The CAS number of methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is 861146-32-9.
What is the molecular formula of methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular formula of methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is C17H13ClFN3O3S.
What is the molecular weight of methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
The molecular weight of methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate is 393.04 g/mol.
Where can I buy methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
You can request a quote for methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-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-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-amino-7-(2-chloro-6-fluorophenyl)-6-cyano-2-methyl-3-oxo-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.