Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide
TL;DR: Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide (CAS 27796-49-2) is a chemical compound with molecular formula C14H22BrNO2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium bromide
Also Known As: (3-Benzoylpropyl)(2-hydroxyethyl)dimethylammonium bromide, Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide, n-(2-hydroxyethyl)-n,n-dimethyl-4-oxo-4-phenylbutan-1-aminium bromide, 2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium bromide, RefChem:1076752
| Molecular Formula | C14H22BrNO2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | -1.2778 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.0834 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 27796-49-2 |
|---|---|
| SMILES | C[N+](C)(CCCC(=O)C1=CC=CC=C1)CCO.[Br-] |
| InChIKey | AOJGDSKASOUDMG-UHFFFAOYSA-M |
Product Overview
Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide (CAS 27796-49-2), with molecular formula C14H22BrNO2 and molecular weight 315.08 g/mol. IUPAC: 2-hydroxyethyl-dimethyl-(4-oxo-4-phenylbutyl)azanium bromide.
Chemical Property Profile of Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide
Property Insights of Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide
The XLogP value of -1.2778 indicates that Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide has 1 hydrogen bond donor(s) and 3 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, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide?
The CAS number of Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide is 27796-49-2.
What is the molecular formula of Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide?
The molecular formula of Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide is C14H22BrNO2.
What is the molecular weight of Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide?
The molecular weight of Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide is 315.08 g/mol.
Where can I buy Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide?
You can request a quote for Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (3-benzoylpropyl)(2-hydroxyethyl)dimethyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.