20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide
TL;DR: 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide (CAS 79684-01-8) is a chemical compound with molecular formula C28H38O4 and molecular weight 438.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
Also Known As: 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide, J1.917.310K, 20b-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide, (22R)-20-hydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione, ergosta-2,5,24-triene-1,26-dione, 22,26-epoxy-20-hydroxy-, (22R)-
| Molecular Formula | C28H38O4 |
|---|---|
| Molecular Weight | 438.28 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.277 |
| Heavy Atoms | 32 |
| Complexity | 956.0 |
Chemical Identifiers
| CAS Number | 79684-01-8 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C=CC5)C)C)O)C |
| InChIKey | VOFPJACKXWOYES-ZJOYFJNASA-N |
Product Overview
20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide (CAS 79684-01-8), with molecular formula C28H38O4 and molecular weight 438.28 g/mol. IUPAC: (2R)-2-[(1R)-1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one.
Chemical Property Profile of 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide
Property Insights of 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide
The XLogP value of 4.9 indicates that 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide. Following Lipinski's Rule of Five, 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide has 1 hydrogen bond donor(s) and 4 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 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide?
The CAS number of 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide is 79684-01-8.
What is the molecular formula of 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide?
The molecular formula of 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide is C28H38O4.
What is the molecular weight of 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide?
The molecular weight of 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide is 438.28 g/mol.
Where can I buy 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide?
You can request a quote for 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide?
Yes, KEHONG BIO provides custom synthesis services for 20beta-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.