Ebeinone
TL;DR: Ebeinone (CAS 125409-58-7) is a chemical compound with molecular formula C27H41NO2 and molecular weight 411.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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, RefChem:136169
| Molecular Formula | C27H41NO2 |
|---|---|
| Molecular Weight | 411.31 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.31372 |
| Heavy Atoms | 30 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 125409-58-7 |
|---|---|
| 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 |
Product Overview
Ebeinone (CAS 125409-58-7), with molecular formula C27H41NO2 and molecular weight 411.31 g/mol. IUPAC: (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.
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
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 411.31 g/mol.
Where can I buy Ebeinone?
You can request a quote for Ebeinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ebeinone?
Yes, KEHONG BIO provides custom synthesis services for Ebeinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.