7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole
TL;DR: 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole (CAS 93114-02-4) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole
Also Known As: 4,7-Epoxy-1H-isoindole, octahydro-4-methyl-
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 0.7733 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 194.00175 |
Chemical Identifiers
| CAS Number | 93114-02-4 |
|---|---|
| SMILES | CC12CCC(O1)C3C2CNC3 |
Product Overview
7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole (CAS 93114-02-4), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 7-methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole.
Chemical Property Profile of 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole
Property Insights of 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole
The XLogP value of 0.7733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole. With a topological polar surface area (TPSA) of 21.26 Ų, 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole has 1 hydrogen bond donor(s) and 2 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 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole?
The CAS number of 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole is 93114-02-4.
What is the molecular formula of 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole?
The molecular formula of 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole is C9H15NO.
What is the molecular weight of 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole?
The molecular weight of 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole is 153.12 g/mol.
Where can I buy 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole?
You can request a quote for 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-1,2,3,3a,4,5,6,7a-octahydro-4,7-epoxyisoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.