5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
TL;DR: 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione (CAS 39262-28-7) is a chemical compound with molecular formula C28H36O6 and molecular weight 468.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S,5R,10R,14R,15R)-15-[(1S)-1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-ene-9,13-dione
Also Known As: Withanicandrin, 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione, (8xi,9xi,14xi)-5-Hydroxy-5alpha,6alpha,7alpha-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
| Molecular Formula | C28H36O6 |
|---|---|
| Molecular Weight | 468.25 g/mol |
| LogP | 3.5595 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.2512 |
| Heavy Atoms | 34 |
| Complexity | 1057.1146 |
Chemical Identifiers
| CAS Number | 39262-28-7 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)[C@@H](C)[C@H]2CCC3[C@@]2(C(=O)CC4C3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)C |
Product Overview
5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione (CAS 39262-28-7), with molecular formula C28H36O6 and molecular weight 468.25 g/mol. IUPAC: (2S,4S,5R,10R,14R,15R)-15-[(1S)-1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-ene-9,13-dione.
Chemical Property Profile of 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
Property Insights of 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione
The XLogP value of 3.5595 indicates that 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione. Following Lipinski's Rule of Five, 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione has 1 hydrogen bond donor(s) and 6 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 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione?
The CAS number of 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione is 39262-28-7.
What is the molecular formula of 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione?
The molecular formula of 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione is C28H36O6.
What is the molecular weight of 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione?
The molecular weight of 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione is 468.25 g/mol.
Where can I buy 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione?
You can request a quote for 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,12,26-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.