Raunescine
TL;DR: Raunescine (CAS 118054-16-3) is a chemical compound with molecular formula C31H36N2O8 and molecular weight 564.2472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,15S,17R,18R,19S,20S)-18-hydroxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Raunescine [MI], Raunescin, 3,4,5-Trimethoxybenzoyl methyl raunescate, 3,5-Trimethoxybenzoyl methyl raunescate, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 17alpha,18beta-dihydroxy-, methyl ester, 18-(3,4,5-trimethoxybenzoate)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C31H36N2O8 |
| Molecular Weight | 564.2472 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 564.2472 Da |
| Heavy Atoms | 41 |
| Complexity | 937.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)O[C@@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2O)C(=O)OC)NC6=CC=CC=C56 |
| InChIKey | UGMYHMZSPHJQHL-UTYXIPFNSA-N |
Chemical Property Profile of Raunescine
Property Insights of Raunescine
The XLogP value of 4.1 indicates that Raunescine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Raunescine. Following Lipinski's Rule of Five, Raunescine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Raunescine?
The CAS number of Raunescine is 118054-16-3.
What is the molecular formula of Raunescine?
The molecular formula of Raunescine is C31H36N2O8.
What is the molecular weight of Raunescine?
The molecular weight of Raunescine is 564.2472 g/mol.
Where can I buy Raunescine?
You can request a quote for Raunescine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Raunescine?
Yes, CoreyChem provides custom synthesis services for Raunescine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.