Butylhyoscine
TL;DR: Butylhyoscine (CAS 149-64-4) is a chemical compound with molecular formula C21H30BrNO4 and molecular weight 439.13583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,2S,4R,5S)-9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: Butylhyoscine, Sporamin, Buscolamin, Buscolysin, Buscolysine
Technical Specifications
| Molecular Formula | C21H30BrNO4 |
| Molecular Weight | 439.13583 g/mol |
| XLogP | -0.76 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.13583 Da |
| Heavy Atoms | 27 |
| Complexity | 500.0 |
| SMILES | CCCC[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-] |
| InChIKey | HOZOZZFCZRXYEK-GXLSIKBRSA-M |
Product Description
Applications: Butylhyoscine is used in organic synthesis and process chemistry. 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 fine chemical supplied by CoreyChem, Butylhyoscine (CAS 149-64-4) has the molecular formula C21H30BrNO4 and a molecular weight of 439.14 g/mol. Synonyms include Butylhyoscine and Sporamin.
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 Butylhyoscine
Property Insights of Butylhyoscine
The XLogP value of -0.76 indicates that Butylhyoscine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, Butylhyoscine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butylhyoscine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Butylhyoscine?
The CAS number of Butylhyoscine is 149-64-4.
What is the molecular formula of Butylhyoscine?
The molecular formula of Butylhyoscine is C21H30BrNO4.
What is the molecular weight of Butylhyoscine?
The molecular weight of Butylhyoscine is 439.13583 g/mol.
What are the applications of Butylhyoscine?
Butylhyoscine is used in organic synthesis and process chemistry. 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).
Where can I buy Butylhyoscine?
You can request a quote for Butylhyoscine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butylhyoscine?
Yes, CoreyChem provides custom synthesis services for Butylhyoscine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.