Tropine 2-(phenylthio)butanoate oxalate salt
TL;DR: Tropine 2-(phenylthio)butanoate oxalate salt (CAS 155059-55-5) is a chemical compound with molecular formula C20H27NO6S and molecular weight 409.1559 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylsulfanylbutanoate;oxalic acid
Also Known As: Tropine 2-(phenylthio)butanoate oxalate salt, SM32, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylsulfanylbutanoate;oxalic acid, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-(phenylthio)butanoate oxalate, Butanoic acid, 2-(phenylthio)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, ethanedioate (1:1)
Technical Specifications
| Molecular Formula | C20H27NO6S |
| Molecular Weight | 409.1559 g/mol |
| XLogP | 2.8813 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.1559 Da |
| Heavy Atoms | 28 |
| Complexity | 441.0 |
| SMILES | CCC(C(=O)OC1CC2CCC(C1)N2C)SC3=CC=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | DBBVWGGNICLTMF-UHFFFAOYSA-N |
Chemical Property Profile of Tropine 2-(phenylthio)butanoate oxalate salt
Property Insights of Tropine 2-(phenylthio)butanoate oxalate salt
The XLogP value of 2.8813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tropine 2-(phenylthio)butanoate oxalate salt. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tropine 2-(phenylthio)butanoate oxalate salt. Following Lipinski's Rule of Five, Tropine 2-(phenylthio)butanoate oxalate salt has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tropine 2-(phenylthio)butanoate oxalate salt?
The CAS number of Tropine 2-(phenylthio)butanoate oxalate salt is 155059-55-5.
What is the molecular formula of Tropine 2-(phenylthio)butanoate oxalate salt?
The molecular formula of Tropine 2-(phenylthio)butanoate oxalate salt is C20H27NO6S.
What is the molecular weight of Tropine 2-(phenylthio)butanoate oxalate salt?
The molecular weight of Tropine 2-(phenylthio)butanoate oxalate salt is 409.1559 g/mol.
Where can I buy Tropine 2-(phenylthio)butanoate oxalate salt?
You can request a quote for Tropine 2-(phenylthio)butanoate oxalate salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tropine 2-(phenylthio)butanoate oxalate salt?
Yes, CoreyChem provides custom synthesis services for Tropine 2-(phenylthio)butanoate oxalate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.