Butylscopolamine BR
TL;DR: Butylscopolamine BR (CAS 7182-53-8) is a chemical compound with molecular formula C21H30NO4+ and molecular weight 360.21747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Also Known As: Butylscopolamine, Butylscopolamine BR, (-)-Scopolamine,n-Butyl-, bromide, 9-Butyl-7-(3-hydroxy-2-phenyl-propionyloxy)-9-methyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane; bromide(N-butyl scopolamine bromide), 9-Butyl-7-(3-hydroxy-2-phenyl-propionyloxy)-9-methyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane; bromide(scopolamine butyl bromide)
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H30NO4+ |
| Molecular Weight | 360.21747 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.21747 Da |
| Heavy Atoms | 26 |
| Complexity | 500.0 |
| SMILES | CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C |
| InChIKey | YBCNXCRZPWQOBR-UHFFFAOYSA-N |
Product Description
Applications: Butylscopolamine BR 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).
Butylscopolamine BR is a pharmaceutical intermediate identified by CAS number 7182-53-8 and the molecular formula C21H30NO4+ and a molecular weight of 360.22 g/mol. Synonyms include Butylscopolamine and Butylscopolamine BR.
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 Butylscopolamine BR
Property Insights of Butylscopolamine BR
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butylscopolamine BR. With a topological polar surface area (TPSA) of 59.1 Ų, Butylscopolamine BR exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylscopolamine BR has 1 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 Butylscopolamine BR?
The CAS number of Butylscopolamine BR is 7182-53-8.
What is the molecular formula of Butylscopolamine BR?
The molecular formula of Butylscopolamine BR is C21H30NO4+.
What is the molecular weight of Butylscopolamine BR?
The molecular weight of Butylscopolamine BR is 360.21747 g/mol.
What are the applications of Butylscopolamine BR?
Butylscopolamine BR 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 Butylscopolamine BR?
You can request a quote for Butylscopolamine BR directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butylscopolamine BR?
Yes, CoreyChem provides custom synthesis services for Butylscopolamine BR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.