TL;DR: ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate (CAS 1177804-81-7) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.1107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 8-oxo-3,14-dioxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylate
Also Known As: ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate, ethyl 6-oxo-2,3,4,6,6a,7,8,10b-octahydro-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7-carboxylate, ethyl 8-oxo-3,14-dioxa-7-azatetracyclo[9.2.1.0<1,9>.0<2,7>]tetradec-12-ene-10- carboxylate
| Molecular Formula | C14H17NO5 |
| Molecular Weight | 279.1107 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.1107 Da |
| Heavy Atoms | 20 |
| Complexity | 504.0 |
| SMILES | CCOC(=O)C1C2C=CC3(C1C(=O)N4C3OCCC4)O2 |
| InChIKey | DNPZPPHKBCNQCS-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate. Following Lipinski's Rule of Five, ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate is 1177804-81-7.
The molecular formula of ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate is C14H17NO5.
The molecular weight of ethyl 6-oxo-3,4,6,6a,7,8-hexahydro-2H-8,10a-epoxy[1,3]oxazino[2,3-a]isoindole-7(10bH)-carboxylate is 279.1107 g/mol.
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