O-(2-Iodoethyl)choline
TL;DR: O-(2-Iodoethyl)choline (CAS 76584-53-7) is a chemical compound with molecular formula C7H17INO+ and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-iodoethoxy)ethyl-trimethylazanium
Also Known As: O-(2-Iodoethyl)choline, (2-Iodoethyl)choline ether, 2-(2-iodoethoxy)ethyl-trimethylazanium, Ethanaminium, 2-(2-iodoethoxy)-N,N,N-trimethyl-, Ethanaminium,2-(2-iodoethoxy)-N,N,N-trimethyl-
| Molecular Formula | C7H17INO+ |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0355 |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 76584-53-7 |
|---|---|
| SMILES | C[N+](C)(C)CCOCCI |
| InChIKey | DHXANSVTUWPTCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(2-Iodoethyl)choline (CAS 76584-53-7), with molecular formula C7H17INO+ and molecular weight 258.04 g/mol. IUPAC: 2-(2-iodoethoxy)ethyl-trimethylazanium.
Chemical Property Profile of O-(2-Iodoethyl)choline
Property Insights of O-(2-Iodoethyl)choline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(2-Iodoethyl)choline. With a topological polar surface area (TPSA) of 9.2 Ų, O-(2-Iodoethyl)choline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2-Iodoethyl)choline has 0 hydrogen bond donor(s) and 1 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 O-(2-Iodoethyl)choline?
The CAS number of O-(2-Iodoethyl)choline is 76584-53-7.
What is the molecular formula of O-(2-Iodoethyl)choline?
The molecular formula of O-(2-Iodoethyl)choline is C7H17INO+.
What is the molecular weight of O-(2-Iodoethyl)choline?
The molecular weight of O-(2-Iodoethyl)choline is 258.04 g/mol.
Where can I buy O-(2-Iodoethyl)choline?
You can request a quote for O-(2-Iodoethyl)choline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Iodoethyl)choline?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Iodoethyl)choline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.