丁酰胆碱
TL;DR: 丁酰胆碱 (CAS 3922-86-9) is a chemical compound with molecular formula C9H20NO2+ and molecular weight 174.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酰胆碱
2-butanoyloxyethyl(trimethyl)azanium
Also Known As: butyrylcholine, Choline butyrate, Choline butanoate, Butyrylcholine iodide, Choline, butyrate (ester)
| Molecular Formula | C9H20NO2+ |
|---|---|
| Molecular Weight | 174.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1494 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 3922-86-9 |
|---|---|
| SMILES | CCCC(=O)OCC[N+](C)(C)C |
| InChIKey | YRIBGSCJIMXMPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酰胆碱 (CAS 3922-86-9), with molecular formula C9H20NO2+ and molecular weight 174.15 g/mol. IUPAC: 2-butanoyloxyethyl(trimethyl)azanium.
Chemical Property Profile of 丁酰胆碱
Property Insights of 丁酰胆碱
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酰胆碱. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酰胆碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酰胆碱 has 0 hydrogen bond donor(s) and 2 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 丁酰胆碱?
The CAS number of 丁酰胆碱 is 3922-86-9.
What is the molecular formula of 丁酰胆碱?
The molecular formula of 丁酰胆碱 is C9H20NO2+.
What is the molecular weight of 丁酰胆碱?
The molecular weight of 丁酰胆碱 is 174.15 g/mol.
Where can I buy 丁酰胆碱?
You can request a quote for 丁酰胆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酰胆碱?
Yes, KEHONG BIO provides custom synthesis services for 丁酰胆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.