Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate
TL;DR: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate (CAS 64048-45-9) is a chemical compound with molecular formula C21H28INO2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium iodide
Also Known As: M.G. 1046, Diethyl(2-hydroxyethyl)methylammonium iodide 4-biphenylylacetate, Diethyl methylammoniumiodide,4-biphenylylacetate, Ammonium, (2-(p-biphenylylacetoxy)ethyl)diethylmethyl-, iodide, Ioduro di metil-dietil-(beta-difenil-4-acetossi-etil)ammonio
| Molecular Formula | C21H28INO2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 0.93 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.1165 |
| Heavy Atoms | 25 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 64048-45-9 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2.[I-] |
| InChIKey | WWPDLGXXOXAQKK-UHFFFAOYSA-M |
Product Overview
Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate (CAS 64048-45-9), with molecular formula C21H28INO2 and molecular weight 453.12 g/mol. IUPAC: diethyl-methyl-[2-[2-(4-phenylphenyl)acetyl]oxyethyl]azanium iodide.
Chemical Property Profile of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate
Property Insights of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate
The XLogP value of 0.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate 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
Frequently Asked Questions
What is the CAS number of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate?
The CAS number of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate is 64048-45-9.
What is the molecular formula of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate?
The molecular formula of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate is C21H28INO2.
What is the molecular weight of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate?
The molecular weight of Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate is 453.12 g/mol.
Where can I buy Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate?
You can request a quote for Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate 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-, iodide, 4-biphenylylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 4-biphenylylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.