Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate
TL;DR: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate (CAS 109513-52-2) is a chemical compound with molecular formula C17H28BrNO3 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(4-hydroxy-2-phenylbutanoyl)oxyethyl]-methylazanium bromide
Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide 3-hydroxy-2-phenylbutyrate, AMMONIUM, DIETHYL(2-HYDROXYETHYL)METHYL-, BROMIDE, 3-HYDROXY-2-PHENYLBUTYRATE, diethyl-[2-(4-hydroxy-2-phenylbutanoyl)oxyethyl]-methylazanium;bromide, 2-(3'-Chloro-4'-methoxy-[1,1'-biphenyl]-4-yl)-2-oxoacetaldehyde, DIETHYL-[2-(4-HYDROXY-2-PHENYL-BUTANOYL)OXYETHYL]-METHYL-AZANIUM BROMIDE
| Molecular Formula | C17H28BrNO3 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 373.12527 |
| Heavy Atoms | 22 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 109513-52-2 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(CCO)C1=CC=CC=C1.[Br-] |
| InChIKey | JLPLYWKGNATVMB-UHFFFAOYSA-M |
Product Overview
Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate (CAS 109513-52-2), with molecular formula C17H28BrNO3 and molecular weight 373.13 g/mol. IUPAC: diethyl-[2-(4-hydroxy-2-phenylbutanoyl)oxyethyl]-methylazanium bromide.
Chemical Property Profile of Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate
Property Insights of Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate
The XLogP value of -0.81 indicates that Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate 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, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate 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, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate?
The CAS number of Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate is 109513-52-2.
What is the molecular formula of Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate?
The molecular formula of Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate is C17H28BrNO3.
What is the molecular weight of Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate?
The molecular weight of Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate is 373.13 g/mol.
Where can I buy Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate?
You can request a quote for Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-hydroxy-2-phenylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.