Propantheline Bromide
TL;DR: Propantheline Bromide (CAS 50-34-0) is a chemical compound with molecular formula C23H30BrNO3 and molecular weight 447.1409 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium bromide
Also Known As: PROPANTHELINE BROMIDE, Pro-Banthine, Neometantyl, Neopepulsan, Pantheline
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H30BrNO3 |
| Molecular Weight | 447.1409 g/mol |
| XLogP | 1.73 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1409 Da |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
| Melting Point | 318 to 322 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 70 °F (NTP, 1992) |
| SMILES | CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C.[Br-] |
| InChIKey | XLBIBBZXLMYSFF-UHFFFAOYSA-M |
Product Description
Applications: Propantheline Bromide 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. CoreyChem supplies Propantheline Bromide (CAS 50-34-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Propantheline Bromide is a pharmaceutical intermediate identified by CAS number 50-34-0 and the molecular formula C23H30BrNO3 and a molecular weight of 447.14 g/mol. Physically, the compound has a solubility: greater than or equal to 100 mg/mL at 70 °F (NTP, 1992). It is also known as PROPANTHELINE BROMIDE and Pro-Banthine.
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 Propantheline Bromide
Property Insights of Propantheline Bromide
The XLogP value of 1.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propantheline Bromide. With a topological polar surface area (TPSA) of 35.5 Ų, Propantheline Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propantheline Bromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propantheline Bromide?
The CAS number of Propantheline Bromide is 50-34-0.
What is the molecular formula of Propantheline Bromide?
The molecular formula of Propantheline Bromide is C23H30BrNO3.
What is the molecular weight of Propantheline Bromide?
The molecular weight of Propantheline Bromide is 447.1409 g/mol.
What are the applications of Propantheline Bromide?
Propantheline Bromide 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. CoreyChem supplies Propantheline Bromide (CAS...
Where can I buy Propantheline Bromide?
You can request a quote for Propantheline Bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propantheline Bromide?
Yes, CoreyChem provides custom synthesis services for Propantheline Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.