Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide
TL;DR: Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide (CAS 69859-82-1) is a chemical compound with molecular formula C21H27BrN2O3 and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-ethyl-dimethylazanium bromide
Also Known As: Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide, 2-[3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenoxy]-N-ethyl-N,N-dimethylethan-1-aminium bromide, RefChem:339968
| Molecular Formula | C21H27BrN2O3 |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | -0.5228 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1205 |
| Heavy Atoms | 27 |
| Complexity | 746.4451 |
Chemical Identifiers
| CAS Number | 69859-82-1 |
|---|---|
| SMILES | CC[N+](C)(C)CCOC1=CC=CC(=C1)N2C(=O)C3C4CC(C3C2=O)C=C4.[Br-] |
Product Overview
Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide (CAS 69859-82-1), with molecular formula C21H27BrN2O3 and molecular weight 434.12 g/mol. IUPAC: 2-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenoxy]ethyl-ethyl-dimethylazanium bromide.
Chemical Property Profile of Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide
Property Insights of Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide
The XLogP value of -0.5228 indicates that Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.61 Ų, Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide 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 Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide?
The CAS number of Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide is 69859-82-1.
What is the molecular formula of Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide?
The molecular formula of Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide is C21H27BrN2O3.
What is the molecular weight of Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide?
The molecular weight of Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide is 434.12 g/mol.
Where can I buy Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide?
You can request a quote for Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ethanaminium, N,N-dimethyl-N-ethyl-2-(3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenoxy)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.