![ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate structure](/static/products/5219/52196-98-2.webp)
ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate
TL;DR: ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate (CAS 52196-98-2) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate
Also Known As: ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate, ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine, Ethyl 3-oxo-1,3,4,5,7,8-hexahydro-6H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate, 6H-ISOXAZOLO[3,4-D]AZEPINE-6-CARBOXYLICACID, 1,3,4,5,7,8-HEXAHYDRO-3-OXO-, ETHYL ESTER
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 52196-98-2 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(CC1)NOC2=O |
| InChIKey | XICYZCLNNSVLKJ-UHFFFAOYSA-N |
Product Overview
ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate (CAS 52196-98-2), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate.
Chemical Property Profile of ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate
Property Insights of ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-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 ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate?
The CAS number of ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate is 52196-98-2.
What is the molecular formula of ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate?
The molecular formula of ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate is C10H14N2O4.
What is the molecular weight of ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate?
The molecular weight of ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate is 226.10 g/mol.
Where can I buy ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate?
You can request a quote for ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-oxo-4,5,7,8-tetrahydro-1H-[1,2]oxazolo[3,4-d]azepine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.