Methantheline
TL;DR: Methantheline (CAS 5818-17-7) is a chemical compound with molecular formula C21H26NO3+ and molecular weight 340.19125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
Also Known As: methantheline, Methanthelinium, Methanthelinum, Methantheline ion, Banthine bromide
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H26NO3+ |
| Molecular Weight | 340.19125 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.19125 Da |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
| Solubility | 1.32e-04 g/L |
| SMILES | CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 |
| InChIKey | GZHFODJQISUKAY-UHFFFAOYSA-N |
Product Description
Applications: Methantheline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Methantheline (CAS 5818-17-7) is a pharmaceutical intermediate with the molecular formula C21H26NO3+ and a molecular weight of 340.19 g/mol. Key physical properties include a solubility: 1.32e-04 g/L. Synonyms include methantheline and Methanthelinium.
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 Methantheline
Property Insights of Methantheline
The XLogP value of 3.3 indicates that Methantheline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methantheline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methantheline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methantheline?
The CAS number of Methantheline is 5818-17-7.
What is the molecular formula of Methantheline?
The molecular formula of Methantheline is C21H26NO3+.
What is the molecular weight of Methantheline?
The molecular weight of Methantheline is 340.19125 g/mol.
What are the applications of Methantheline?
Methantheline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Methantheline?
You can request a quote for Methantheline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methantheline?
Yes, CoreyChem provides custom synthesis services for Methantheline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.