Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate
TL;DR: Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate (CAS 30254-38-7) is a chemical compound with molecular formula C15H23ClINO3 and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl-trimethylazanium iodide
Also Known As: Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate, Ammonium, (2-hydroxyethyl)trimethyl-, iodide, 2-(p-chlorophenoxy)-2-methyl propionate, 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl-trimethyla, 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl-trimethylazanium iodide, 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}-N,N,N-trimethylethan-1-aminium iodide
| Molecular Formula | C15H23ClINO3 |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | -0.2492 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.0411 |
| Heavy Atoms | 21 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 30254-38-7 |
|---|---|
| SMILES | CC(C)(C(=O)OCC[N+](C)(C)C)OC1=CC=C(C=C1)Cl.[I-] |
| InChIKey | KRGXSBJGFGEPBC-UHFFFAOYSA-M |
Product Overview
Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate (CAS 30254-38-7), with molecular formula C15H23ClINO3 and molecular weight 427.04 g/mol. IUPAC: 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl-trimethylazanium iodide.
Chemical Property Profile of Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate
Property Insights of Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate
The XLogP value of -0.2492 indicates that Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.5 Ų, Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate has 0 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 Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate?
The CAS number of Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate is 30254-38-7.
What is the molecular formula of Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate?
The molecular formula of Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate is C15H23ClINO3.
What is the molecular weight of Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate?
The molecular weight of Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate is 427.04 g/mol.
Where can I buy Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate?
You can request a quote for Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Choline, iodide, 2-(p-chlorophenoxy)-2-methyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.