9,17-Deaeo
TL;DR: 9,17-Deaeo (CAS 116256-39-4) is a chemical compound with molecular formula C21H28O3 and molecular weight 328.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,10S,13S,14S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 9,17-Deaeo, 9,17-Dihydroxypregn-4-en-20-yn-3-one, (9xi,17xi)-9,17-Dihydroxypregn-4-en-20-yn-3-one, (8S,10S,13S,14S)-17-ethynyl-9,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Technical Specifications
| Molecular Formula | C21H28O3 |
| Molecular Weight | 328.20386 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.20386 Da |
| Heavy Atoms | 24 |
| Complexity | 684.0 |
| SMILES | C[C@]12CCC3([C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)CC[C@@]43C)O |
| InChIKey | UGLZRWDRJDINHF-MIXUHAPXSA-N |
Chemical Property Profile of 9,17-Deaeo
Property Insights of 9,17-Deaeo
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,17-Deaeo. With a topological polar surface area (TPSA) of 57.5 Ų, 9,17-Deaeo exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,17-Deaeo has 2 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 9,17-Deaeo?
The CAS number of 9,17-Deaeo is 116256-39-4.
What is the molecular formula of 9,17-Deaeo?
The molecular formula of 9,17-Deaeo is C21H28O3.
What is the molecular weight of 9,17-Deaeo?
The molecular weight of 9,17-Deaeo is 328.20386 g/mol.
Where can I buy 9,17-Deaeo?
You can request a quote for 9,17-Deaeo directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9,17-Deaeo?
Yes, CoreyChem provides custom synthesis services for 9,17-Deaeo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.