Metocinium
TL;DR: Metocinium (CAS 1553-33-9) is a chemical compound with molecular formula C19H24NO3+ and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-trimethylazanium
Also Known As: Metacine, Benzilyl choline, Metocinium ion, Metatsin, Metocinium cation
| Molecular Formula | C19H24NO3+ |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.17563 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 1553-33-9 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | IHRPDXFOMLCPIK-UHFFFAOYSA-N |
Product Overview
Metocinium (CAS 1553-33-9), with molecular formula C19H24NO3+ and molecular weight 314.18 g/mol. IUPAC: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-trimethylazanium.
Chemical Property Profile of Metocinium
Property Insights of Metocinium
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metocinium. With a topological polar surface area (TPSA) of 46.5 Ų, Metocinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metocinium has 1 hydrogen bond donor(s) and 3 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 Metocinium?
The CAS number of Metocinium is 1553-33-9.
What is the molecular formula of Metocinium?
The molecular formula of Metocinium is C19H24NO3+.
What is the molecular weight of Metocinium?
The molecular weight of Metocinium is 314.18 g/mol.
Where can I buy Metocinium?
You can request a quote for Metocinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metocinium?
Yes, KEHONG BIO provides custom synthesis services for Metocinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.