Xylocholine
TL;DR: Xylocholine (CAS 669-50-1) is a chemical compound with molecular formula C13H22NO+ and molecular weight 208.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethylphenoxy)ethyl-trimethylazanium
Also Known As: Xylocholine, Xylocholine ether, beta-TM-10, 2-(2,6-dimethylphenoxy)ethyl-trimethylazanium, N,N,N-Trimethyl-(2-(2,6-xylyloxy)ethyl)ammonium
| Molecular Formula | C13H22NO+ |
|---|---|
| Molecular Weight | 208.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.17014 |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 669-50-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC[N+](C)(C)C |
| InChIKey | RXYWAURTGUPANZ-UHFFFAOYSA-N |
Product Overview
Xylocholine (CAS 669-50-1), with molecular formula C13H22NO+ and molecular weight 208.17 g/mol. IUPAC: 2-(2,6-dimethylphenoxy)ethyl-trimethylazanium.
Chemical Property Profile of Xylocholine
Property Insights of Xylocholine
The XLogP value of 3.1 indicates that Xylocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Xylocholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xylocholine 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 Xylocholine?
The CAS number of Xylocholine is 669-50-1.
What is the molecular formula of Xylocholine?
The molecular formula of Xylocholine is C13H22NO+.
What is the molecular weight of Xylocholine?
The molecular weight of Xylocholine is 208.17 g/mol.
Where can I buy Xylocholine?
You can request a quote for Xylocholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xylocholine?
Yes, KEHONG BIO provides custom synthesis services for Xylocholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.