Carnitylcholine
TL;DR: Carnitylcholine (CAS 34566-86-4) is a chemical compound with molecular formula C12H28Cl2N2O3 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butyl]-trimethylazanium dichloride
Also Known As: Carnitylcholine, [2-hydroxy-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butyl]-trimethylazanium;dichloride, [2-hydroxy-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butyl]-trimethylazanium dichloride, 2-Hydroxy-N,N,N-trimethyl-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butan-1-aminium dichloride, 1-Butanaminium, 2-hydroxy-N,N,N-trimethyl-4-oxo-4-(2-(trimethylammonio)ethoxy)-, dichloride
| Molecular Formula | C12H28Cl2N2O3 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | -6.299 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.1477 |
| Heavy Atoms | 19 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 34566-86-4 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CC(C[N+](C)(C)C)O.[Cl-].[Cl-] |
| InChIKey | MESTZMPUVNXFMI-UHFFFAOYSA-L |
Product Overview
Carnitylcholine (CAS 34566-86-4), with molecular formula C12H28Cl2N2O3 and molecular weight 318.15 g/mol. IUPAC: [2-hydroxy-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butyl]-trimethylazanium dichloride.
Chemical Property Profile of Carnitylcholine
Property Insights of Carnitylcholine
The XLogP value of -6.299 indicates that Carnitylcholine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Carnitylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carnitylcholine has 1 hydrogen bond donor(s) and 5 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 Carnitylcholine?
The CAS number of Carnitylcholine is 34566-86-4.
What is the molecular formula of Carnitylcholine?
The molecular formula of Carnitylcholine is C12H28Cl2N2O3.
What is the molecular weight of Carnitylcholine?
The molecular weight of Carnitylcholine is 318.15 g/mol.
Where can I buy Carnitylcholine?
You can request a quote for Carnitylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carnitylcholine?
Yes, KEHONG BIO provides custom synthesis services for Carnitylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.