O-(2-Chloroethyl)choline
TL;DR: O-(2-Chloroethyl)choline (CAS 74886-55-8) is a chemical compound with molecular formula C7H17ClNO+ and molecular weight 166.09987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroethoxy)ethyl-trimethylazanium
Also Known As: O-(2-Chloroethyl)choline, (2-Chloroethyl)choline ether, 2-(2-chloroethoxy)ethyl-trimethylazanium, Ethanaminium, 2-(2-chloroethoxy)-N,N,N-trimethyl-, Ethanaminium,2-(2-chloroethoxy)-N,N,N-trimethyl-
Technical Specifications
| Molecular Formula | C7H17ClNO+ |
| Molecular Weight | 166.09987 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.09987 Da |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
| SMILES | C[N+](C)(C)CCOCCCl |
| InChIKey | OGQRKWZQPRDYJS-UHFFFAOYSA-N |
Chemical Property Profile of O-(2-Chloroethyl)choline
Property Insights of O-(2-Chloroethyl)choline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(2-Chloroethyl)choline. With a topological polar surface area (TPSA) of 9.2 Ų, O-(2-Chloroethyl)choline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2-Chloroethyl)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
What is the CAS number of O-(2-Chloroethyl)choline?
The CAS number of O-(2-Chloroethyl)choline is 74886-55-8.
What is the molecular formula of O-(2-Chloroethyl)choline?
The molecular formula of O-(2-Chloroethyl)choline is C7H17ClNO+.
What is the molecular weight of O-(2-Chloroethyl)choline?
The molecular weight of O-(2-Chloroethyl)choline is 166.09987 g/mol.
Where can I buy O-(2-Chloroethyl)choline?
You can request a quote for O-(2-Chloroethyl)choline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-(2-Chloroethyl)choline?
Yes, CoreyChem provides custom synthesis services for O-(2-Chloroethyl)choline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.