Choline, iodide, 2-phenylbutyrate (ester)
TL;DR: Choline, iodide, 2-phenylbutyrate (ester) (CAS 3482-90-4) is a chemical compound with molecular formula C15H24INO2 and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium iodide
Also Known As: PEAC, Choline, iodide, 2-phenylbutyrate (ester), Iodure de N-(phenyl-2-ethyl-2-acetylcholine), Iodure de N-(phenyl-2-ethyl-2-acetylcholine) [French], trimethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium iodide
| Molecular Formula | C15H24INO2 |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | -0.5664 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.08517 |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 3482-90-4 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCC[N+](C)(C)C.[I-] |
| InChIKey | WEHBLBNUZNADNR-UHFFFAOYSA-M |
Product Overview
Choline, iodide, 2-phenylbutyrate (ester) (CAS 3482-90-4), with molecular formula C15H24INO2 and molecular weight 377.09 g/mol. IUPAC: trimethyl-[2-(2-phenylbutanoyloxy)ethyl]azanium iodide.
Chemical Property Profile of Choline, iodide, 2-phenylbutyrate (ester)
Property Insights of Choline, iodide, 2-phenylbutyrate (ester)
The XLogP value of -0.5664 indicates that Choline, iodide, 2-phenylbutyrate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Choline, iodide, 2-phenylbutyrate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, iodide, 2-phenylbutyrate (ester) 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 Choline, iodide, 2-phenylbutyrate (ester)?
The CAS number of Choline, iodide, 2-phenylbutyrate (ester) is 3482-90-4.
What is the molecular formula of Choline, iodide, 2-phenylbutyrate (ester)?
The molecular formula of Choline, iodide, 2-phenylbutyrate (ester) is C15H24INO2.
What is the molecular weight of Choline, iodide, 2-phenylbutyrate (ester)?
The molecular weight of Choline, iodide, 2-phenylbutyrate (ester) is 377.09 g/mol.
Where can I buy Choline, iodide, 2-phenylbutyrate (ester)?
You can request a quote for Choline, iodide, 2-phenylbutyrate (ester) 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-phenylbutyrate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Choline, iodide, 2-phenylbutyrate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.