Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate
TL;DR: Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate (CAS 63918-55-8) is a chemical compound with molecular formula C12H15ClN4O9S and molecular weight 426.02484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-2-ethylaziridin-1-ium;2,4,6-trinitrobenzenesulfonate
Also Known As: Ethyl-beta-chloroethyl-ethylenimonium picrylsulfonate, ETHYLENIMONIUM, ETHYL(2-CHLOROETHYL)-, PICRYLSULFONATE, 1-Ethyl-1-(beta-chloroethyl)ethylenimonium picrylsulfonate, 1-(2-chloroethyl)-2-ethylaziridin-1-ium; 2,4,6-trinitrobenzenesulfonate, Aziridinium, 1-(2-chloroethyl)-1-ethyl-, salt with 2,4,6-trinitrobenzenesulfonic acid (1:1)
Technical Specifications
| Molecular Formula | C12H15ClN4O9S |
| Molecular Weight | 426.02484 g/mol |
| XLogP | 0.22 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.02484 Da |
| Heavy Atoms | 27 |
| Complexity | 532.0 |
| SMILES | CCC1C[NH+]1CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PWYBTCCLIGLZDR-UHFFFAOYSA-N |
Chemical Property Profile of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate
Property Insights of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate
The XLogP value of 0.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate. The TPSA of 207.0 Ų indicates high polarity, suggesting Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate?
The CAS number of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate is 63918-55-8.
What is the molecular formula of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate?
The molecular formula of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate is C12H15ClN4O9S.
What is the molecular weight of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate?
The molecular weight of Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate is 426.02484 g/mol.
Where can I buy Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate?
You can request a quote for Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate?
Yes, CoreyChem provides custom synthesis services for Ethylenimonium, ethyl(2-chloroethyl)-, picrylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.