Methylbenzethonium
TL;DR: Methylbenzethonium (CAS 72013-76-4) is a chemical compound with molecular formula C28H44NO2+ and molecular weight 426.33722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
Also Known As: Methylbenzethonium, Methylbenzethonium ion, Methylbenzethonium cation, Spectrum2_001544, Spectrum3_001178
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H44NO2+ |
| Molecular Weight | 426.33722 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.33722 Da |
| Heavy Atoms | 31 |
| Complexity | 502.0 |
| SMILES | CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2 |
| InChIKey | UQOOPIMXBSPVJI-UHFFFAOYSA-N |
Product Description
Applications: Methylbenzethonium is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methylbenzethonium (CAS 72013-76-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Methylbenzethonium (CAS 72013-76-4) has the molecular formula C28H44NO2+ and a molecular weight of 426.34 g/mol. It is also known as Methylbenzethonium and Methylbenzethonium ion.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methylbenzethonium
Property Insights of Methylbenzethonium
The XLogP value of 7.1 indicates that Methylbenzethonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Methylbenzethonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylbenzethonium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Methylbenzethonium?
The CAS number of Methylbenzethonium is 72013-76-4.
What is the molecular formula of Methylbenzethonium?
The molecular formula of Methylbenzethonium is C28H44NO2+.
What is the molecular weight of Methylbenzethonium?
The molecular weight of Methylbenzethonium is 426.33722 g/mol.
What are the applications of Methylbenzethonium?
Methylbenzethonium is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methylbenzethonium (CAS 72013-76-4) with custom synthesis...
Where can I buy Methylbenzethonium?
You can request a quote for Methylbenzethonium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylbenzethonium?
Yes, CoreyChem provides custom synthesis services for Methylbenzethonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.