2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
TL;DR: 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione (CAS 96159-88-5) is a chemical compound with molecular formula C16H25NO3 and molecular weight 279.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: 2-octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, J1.722.189B, N-octyl-7-Oxabicyclo(2.2.1)heptane-2,3-dicarboximide, 4-Octyl-10-oxa-4-azatricyclo[5.2.1.02,6]decane-3,5-dione, 2-octyl-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoind
| Molecular Formula | C16H25NO3 |
|---|---|
| Molecular Weight | 279.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.18344 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 96159-88-5 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C2C3CCC(C2C1=O)O3 |
| InChIKey | WMINAGKVFDYDPJ-UHFFFAOYSA-N |
Product Overview
2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione (CAS 96159-88-5), with molecular formula C16H25NO3 and molecular weight 279.18 g/mol. IUPAC: 2-octyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
Property Insights of 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione has 0 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 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
The CAS number of 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione is 96159-88-5.
What is the molecular formula of 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
The molecular formula of 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione is C16H25NO3.
What is the molecular weight of 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
The molecular weight of 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione is 279.18 g/mol.
Where can I buy 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
You can request a quote for 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Octylhexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.