Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate
TL;DR: Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate (CAS 57876-22-9) is a chemical compound with molecular formula C21H28BrNO3 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-propylazanium bromide
Also Known As: Dimethyl(2-hydroxyethyl)propylammonium bromide benzilate, Benzilsaeure-dimethyl-propyl-ammonium-aethylester-bromide, Benzilsaeure-dimethyl-propyl-ammonium-aethylester-bromide [German], AMMONIUM, DIMETHYL(2-HYDROXYETHYL)PROPYL-, BROMIDE, BENZILATE, 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-propylazanium bromide
| Molecular Formula | C21H28BrNO3 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | -0.04 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.12527 |
| Heavy Atoms | 26 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 57876-22-9 |
|---|---|
| SMILES | CCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-] |
| InChIKey | TZSOXWMYOZPGBX-UHFFFAOYSA-M |
Product Overview
Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate (CAS 57876-22-9), with molecular formula C21H28BrNO3 and molecular weight 421.13 g/mol. IUPAC: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-propylazanium bromide.
Chemical Property Profile of Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate
Property Insights of Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate
The XLogP value of -0.04 indicates that Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate has 1 hydrogen bond donor(s) and 4 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 Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate?
The CAS number of Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate is 57876-22-9.
What is the molecular formula of Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate?
The molecular formula of Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate is C21H28BrNO3.
What is the molecular weight of Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate?
The molecular weight of Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate is 421.13 g/mol.
Where can I buy Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate?
You can request a quote for Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, dimethyl(2-hydroxyethyl)propyl-, bromide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.