![Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate structure](/static/products/5010/501080-94-0.webp)
Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate
TL;DR: Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate (CAS 501080-94-0) is a chemical compound with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate
Also Known As: tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate, 1,1-Dimethylethyl 4,5-dihydro-3-hydroxyisoxazolo[3,4-c]pyridine-6(7H)-carboxylate, tert-Butyl 3-hydroxy-4,5-dihydro[1,2]oxazolo[3,4-c]pyridine-6(7H)-carboxylate
| Molecular Formula | C11H16N2O4 |
|---|---|
| Molecular Weight | 240.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.11101 |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 501080-94-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC2=C(C1)NOC2=O |
| InChIKey | YTKYUXCWMPESPP-UHFFFAOYSA-N |
Product Overview
Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate (CAS 501080-94-0), with molecular formula C11H16N2O4 and molecular weight 240.11 g/mol. IUPAC: tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate.
Chemical Property Profile of Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate
Property Insights of Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate. Following Lipinski's Rule of Five, Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate has 1 hydrogen bond donor(s) and 5 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 Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate?
The CAS number of Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate is 501080-94-0.
What is the molecular formula of Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate?
The molecular formula of Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate is C11H16N2O4.
What is the molecular weight of Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate?
The molecular weight of Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate is 240.11 g/mol.
Where can I buy Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate?
You can request a quote for Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]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 Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-oxo-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.