Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate
TL;DR: Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate (CAS 100411-45-8) is a chemical compound with molecular formula C22H39BrN2O2 and molecular weight 442.21948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[2-(dibutylcarbamoyloxy)ethyl]-diethylazanium bromide
Also Known As: 1318 HC, Benzyldiethyl(2-hydroxyethyl)ammonium bromide dibutylcarbamate, AMMONIUM, BENZYLDIETHYL(2-HYDROXYETHYL)-, BROMIDE, DIBUTYLCARBAMATE, benzyl-[2-(dibutylcarbamoyloxy)ethyl]-diethylazanium bromide, benzyl-[2-(dibutylcarbamoyloxy)ethyl]-diethylazanium;bromide
Technical Specifications
| Molecular Formula | C22H39BrN2O2 |
| Molecular Weight | 442.21948 g/mol |
| XLogP | 2.09 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 442.21948 Da |
| Heavy Atoms | 27 |
| Complexity | 355.0 |
| SMILES | CCCCN(CCCC)C(=O)OCC[N+](CC)(CC)CC1=CC=CC=C1.[Br-] |
| InChIKey | LBJKIYPMRCZLBA-UHFFFAOYSA-M |
Chemical Property Profile of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate
Property Insights of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate
The XLogP value of 2.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate 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
What is the CAS number of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate?
The CAS number of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate is 100411-45-8.
What is the molecular formula of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate?
The molecular formula of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate is C22H39BrN2O2.
What is the molecular weight of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate?
The molecular weight of Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate is 442.21948 g/mol.
Where can I buy Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate?
You can request a quote for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate?
Yes, CoreyChem provides custom synthesis services for Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.