![2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium structure](/static/products/7474/7474-27-3.webp)
2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium
TL;DR: 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium (CAS 7474-27-3) is a chemical compound with molecular formula C22H28N3O8+ and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3,5-dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethylazanium
Also Known As: 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium, 2-[[2-(3,5-dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethylazanium
| Molecular Formula | C22H28N3O8+ |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.18765 |
| Heavy Atoms | 33 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 7474-27-3 |
|---|---|
| SMILES | CC1(C(OC(O1)(C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)(C3=CC=CC=C3)OCC[N+](C)(C)C)C |
| InChIKey | KMWOVBCZVBAMIX-UHFFFAOYSA-N |
Product Overview
2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium (CAS 7474-27-3), with molecular formula C22H28N3O8+ and molecular weight 462.19 g/mol. IUPAC: 2-[[2-(3,5-dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy]ethyl-trimethylazanium.
Chemical Property Profile of 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium
Property Insights of 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium. The TPSA of 140.0 Ų indicates high polarity, suggesting 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium has 1 hydrogen bond donor(s) and 8 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-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium?
The CAS number of 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium is 7474-27-3.
What is the molecular formula of 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium?
The molecular formula of 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium is C22H28N3O8+.
What is the molecular weight of 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium?
The molecular weight of 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium is 462.19 g/mol.
Where can I buy 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium?
You can request a quote for 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(3,5-Dinitrophenyl)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3-dioxolan-4-yl]oxy}-N,N,N-trimethylethan-1-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.