Bethanechol
TL;DR: Bethanechol (CAS 674-38-4) is a chemical compound with molecular formula C7H17N2O2+ and molecular weight 161.129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-carbamoyloxypropyl(trimethyl)azanium
Also Known As: bethanechol, Bethanechol chloride, Besacholine, Bethanecol, Amidopropyldimethylbetaine
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H17N2O2+ |
| Molecular Weight | 161.129 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.129 Da |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| Melting Point | 217 - 221 °C (chloride salt) |
| Solubility | 3.11e-01 g/L |
| SMILES | CC(C[N+](C)(C)C)OC(=O)N |
| InChIKey | NZUPCNDJBJXXRF-UHFFFAOYSA-O |
Product Description
Applications: Bethanechol 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).
A pharmaceutical intermediate supplied by CoreyChem, Bethanechol (CAS 674-38-4) has the molecular formula C7H17N2O2+ and a molecular weight of 161.13 g/mol. Reported properties include a solubility: 3.11e-01 g/L. Synonyms include bethanechol and Bethanechol chloride.
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 Bethanechol
Property Insights of Bethanechol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bethanechol. With a topological polar surface area (TPSA) of 52.3 Ų, Bethanechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bethanechol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bethanechol?
The CAS number of Bethanechol is 674-38-4.
What is the molecular formula of Bethanechol?
The molecular formula of Bethanechol is C7H17N2O2+.
What is the molecular weight of Bethanechol?
The molecular weight of Bethanechol is 161.129 g/mol.
What are the applications of Bethanechol?
Bethanechol 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 Bethanechol?
You can request a quote for Bethanechol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bethanechol?
Yes, CoreyChem provides custom synthesis services for Bethanechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.