Ebeinone
TL;DR: Ebeinone (CAS 125409-58-7) is a chemical compound with molecular formula C27H41NO2 and molecular weight 411.31372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-en-17-one
Also Known As: Ebeinone, 3beta-Hydroxy-5alpha,25alpha-cev-13(17)-en-6-one, (1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-en-17-one, (1R,6R,9S,10R,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo(12.11.0.02,11.04,9.015,24.018,23)pentacos-2(11)-en-17-one
Technical Specifications
| Molecular Formula | C27H41NO2 |
| Molecular Weight | 411.31372 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.31372 Da |
| Heavy Atoms | 30 |
| Complexity | 773.0 |
| SMILES | C[C@@H]1CC[C@H]2[C@@H](C3=C(CN2C1)[C@@H]4C[C@H]5[C@H]([C@@H]4CC3)CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C |
| InChIKey | ICSCULPVAJQROK-ILIONMCUSA-N |
Chemical Property Profile of Ebeinone
Property Insights of Ebeinone
The XLogP value of 3.8 indicates that Ebeinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Ebeinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ebeinone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ebeinone?
The CAS number of Ebeinone is 125409-58-7.
What is the molecular formula of Ebeinone?
The molecular formula of Ebeinone is C27H41NO2.
What is the molecular weight of Ebeinone?
The molecular weight of Ebeinone is 411.31372 g/mol.
Where can I buy Ebeinone?
You can request a quote for Ebeinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ebeinone?
Yes, CoreyChem provides custom synthesis services for Ebeinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.