Choline iodide, hydrocinnamate
TL;DR: Choline iodide, hydrocinnamate (CAS 5409-49-4) is a chemical compound with molecular formula C14H22INO2 and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(3-phenylpropanoyloxy)ethyl]azanium iodide
Also Known As: Choline iodide, hydrocinnamate, PK 157, n,n,n-trimethyl-2-[(3-phenylpropanoyl)oxy]ethanaminium iodide, trimethyl-[2-(3-phenylpropanoyloxy)ethyl]azanium iodide, Ethanaminium, N,N,N-trimethyl-2-(1-oxo-3-phenylpropoxy)-, iodide
| Molecular Formula | C14H22INO2 |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | -1.1274 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.06952 |
| Heavy Atoms | 18 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5409-49-4 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CCC1=CC=CC=C1.[I-] |
| InChIKey | HCERCHRMRIOXQE-UHFFFAOYSA-M |
Product Overview
Choline iodide, hydrocinnamate (CAS 5409-49-4), with molecular formula C14H22INO2 and molecular weight 363.07 g/mol. IUPAC: trimethyl-[2-(3-phenylpropanoyloxy)ethyl]azanium iodide.
Chemical Property Profile of Choline iodide, hydrocinnamate
Property Insights of Choline iodide, hydrocinnamate
The XLogP value of -1.1274 indicates that Choline iodide, hydrocinnamate 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, hydrocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline iodide, hydrocinnamate 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, hydrocinnamate?
The CAS number of Choline iodide, hydrocinnamate is 5409-49-4.
What is the molecular formula of Choline iodide, hydrocinnamate?
The molecular formula of Choline iodide, hydrocinnamate is C14H22INO2.
What is the molecular weight of Choline iodide, hydrocinnamate?
The molecular weight of Choline iodide, hydrocinnamate is 363.07 g/mol.
Where can I buy Choline iodide, hydrocinnamate?
You can request a quote for Choline iodide, hydrocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline iodide, hydrocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Choline iodide, hydrocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.