![(3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate structure](/static/products/116/1164478-95-8.png)
(3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate
TL;DR: (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate (CAS 1164478-95-8) is a chemical compound with molecular formula C24H28N2O5S and molecular weight 456.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S,7R)-3-tert-butyl-8-cyano-3-hydroxy-7-(4-methoxycarbonylphenyl)-5-methyl-2,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Also Known As: (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate, ethyl (3S,7R)-3-tert-butyl-8-cyano-3-hydroxy-7-(4-methoxycarbonylphenyl)-5-methyl-2,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
| Molecular Formula | C24H28N2O5S |
|---|---|
| Molecular Weight | 456.17 g/mol |
| LogP | 3.92618 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1719 |
| Heavy Atoms | 32 |
| Complexity | 1045.6333 |
Chemical Identifiers
| CAS Number | 1164478-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C(=C([C@@H]1C3=CC=C(C=C3)C(=O)OC)C#N)SC[C@]2(C(C)(C)C)O)C |
Product Overview
(3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate (CAS 1164478-95-8), with molecular formula C24H28N2O5S and molecular weight 456.17 g/mol. IUPAC: ethyl (3S,7R)-3-tert-butyl-8-cyano-3-hydroxy-7-(4-methoxycarbonylphenyl)-5-methyl-2,7-dihydro-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate.
Chemical Property Profile of (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate
Property Insights of (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate
The XLogP value of 3.92618 indicates that (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate. Following Lipinski's Rule of Five, (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate has 1 hydrogen bond donor(s) and 8 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 (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate?
The CAS number of (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate is 1164478-95-8.
What is the molecular formula of (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate?
The molecular formula of (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate is C24H28N2O5S.
What is the molecular weight of (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate?
The molecular weight of (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate is 456.17 g/mol.
Where can I buy (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate?
You can request a quote for (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-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 (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (3S,7R)-ethyl 3-(tert-butyl)-8-cyano-3-hydroxy-7-(4-(methoxycarbonyl)phenyl)-5-methyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.