10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione
TL;DR: 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione (CAS 671-04-5) is a chemical compound with molecular formula C8H9NO3 and molecular weight 167.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, 3,6-epoxyhexahydrophthalimide, hexahydro-1H-4,7-epoxyisoindole-1,3-dione, 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, hexahydro-, hexahydro-4,7-epioxido-isoindole-1,3-dione
| Molecular Formula | C8H9NO3 |
|---|---|
| Molecular Weight | 167.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.05824 |
| Heavy Atoms | 12 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 671-04-5 |
|---|---|
| SMILES | C1CC2C3C(C1O2)C(=O)NC3=O |
| InChIKey | VKWSKNKAHKHDRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione (CAS 671-04-5), with molecular formula C8H9NO3 and molecular weight 167.06 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione
Property Insights of 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione
The XLogP value of -0.7 indicates that 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione has 1 hydrogen bond donor(s) and 3 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 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione?
The CAS number of 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione is 671-04-5.
What is the molecular formula of 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione?
The molecular formula of 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione is C8H9NO3.
What is the molecular weight of 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione?
The molecular weight of 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione is 167.06 g/mol.
Where can I buy 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione?
You can request a quote for 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 10-Oxa-4-azatricyclo(5.2.1.02,6)decane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.