Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate
TL;DR: Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate (CAS 63918-38-7) is a chemical compound with molecular formula C12H16N4O10S and molecular weight 408.05872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-ethylaziridin-1-ium-1-yl)ethanol;2,4,6-trinitrobenzenesulfonate
Also Known As: Ethyl-beta-hydroxyethyl-ethylenimonium picrylsulfonate, Ethylenimonium, ethyl(2-hydroxyethyl)-, picrylsulfonate, 1-Ethyl-1-(beta-hydroxyethyl)ethylenimonium picrylsulfonate, AZIRIDINIUM, 1-ETHYL-1-(2-HYDROXYETHYL)-, 2,4,6-TRINITROBENZENESULFONATE, Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, salt with 2,4,6-trinitrobenzenesulfonic acid
Technical Specifications
| Molecular Formula | C12H16N4O10S |
| Molecular Weight | 408.05872 g/mol |
| XLogP | 0.14 |
| Topological Polar Surface Area (TPSA) | 223.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.05872 Da |
| Heavy Atoms | 27 |
| Complexity | 535.0 |
| SMILES | CC[N+]1(CC1)CCO.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GUVVOTFAZHZDHR-UHFFFAOYSA-M |
Chemical Property Profile of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate
Property Insights of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate
The XLogP value of 0.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate. The TPSA of 223.0 Ų indicates high polarity, suggesting Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate?
The CAS number of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate is 63918-38-7.
What is the molecular formula of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate?
The molecular formula of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate is C12H16N4O10S.
What is the molecular weight of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate?
The molecular weight of Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate is 408.05872 g/mol.
Where can I buy Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate?
You can request a quote for Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Aziridinium, 1-ethyl-1-(2-hydroxyethyl)-, 2,4,6-trinitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.