Diethylcholine
TL;DR: Diethylcholine (CAS 13213-99-5) is a chemical compound with molecular formula C7H18NO+ and molecular weight 132.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-(2-hydroxyethyl)-methylazanium
Also Known As: Diethylcholine, N,N-Diethylmethylcholine, (2-Hydroxyethyl)methyldiethylammonium, NCIOpen2_002464, diethyl-(2-hydroxyethyl)-methylazanium
| Molecular Formula | C7H18NO+ |
|---|---|
| Molecular Weight | 132.14 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.13884 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 13213-99-5 |
|---|---|
| SMILES | CC[N+](C)(CC)CCO |
| InChIKey | BKMLGCPWXVBXHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethylcholine (CAS 13213-99-5), with molecular formula C7H18NO+ and molecular weight 132.14 g/mol. IUPAC: diethyl-(2-hydroxyethyl)-methylazanium.
Chemical Property Profile of Diethylcholine
Property Insights of Diethylcholine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylcholine. With a topological polar surface area (TPSA) of 20.2 Ų, Diethylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylcholine has 1 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 Diethylcholine?
The CAS number of Diethylcholine is 13213-99-5.
What is the molecular formula of Diethylcholine?
The molecular formula of Diethylcholine is C7H18NO+.
What is the molecular weight of Diethylcholine?
The molecular weight of Diethylcholine is 132.14 g/mol.
Where can I buy Diethylcholine?
You can request a quote for Diethylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylcholine?
Yes, KEHONG BIO provides custom synthesis services for Diethylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.