Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium
TL;DR: Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium (CAS 7150-86-9) is a chemical compound with molecular formula C15H29N2O+ and molecular weight 253.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-4,7-epoxyisoindol-2-yl)ethyl-trimethylazanium
Also Known As: NCI60_028125, Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium, 2-(3a,7a-Dimethyloctahydro-2H-4,7-epoxyisoindol-2-yl)-N,N,N-trimethylethan-1-aminium
| Molecular Formula | C15H29N2O+ |
|---|---|
| Molecular Weight | 253.23 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.22798 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 7150-86-9 |
|---|---|
| SMILES | CC12CN(CC1(C3CCC2O3)C)CC[N+](C)(C)C |
| InChIKey | XJMRUUTZITWJJO-UHFFFAOYSA-N |
Product Overview
Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium (CAS 7150-86-9), with molecular formula C15H29N2O+ and molecular weight 253.23 g/mol. IUPAC: 2-(3a,7a-dimethyl-1,3,4,5,6,7-hexahydro-4,7-epoxyisoindol-2-yl)ethyl-trimethylazanium.
Chemical Property Profile of Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium
Property Insights of Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium. With a topological polar surface area (TPSA) of 12.5 Ų, Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium has 0 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 Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium?
The CAS number of Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium is 7150-86-9.
What is the molecular formula of Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium?
The molecular formula of Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium is C15H29N2O+.
What is the molecular weight of Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium?
The molecular weight of Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium is 253.23 g/mol.
Where can I buy Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium?
You can request a quote for Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-N,N,N,3a,7a-pentamethyl-4,7-epoxy-2H-isoindole-2-ethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.