3-Monoacetylgitoxigenin
TL;DR: 3-Monoacetylgitoxigenin (CAS 1059-21-8) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.2512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5R,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 3-Monoacetylgitoxigenin, gitoxigenin 3-acetate, 4-18-00-02458 (Beilstein Handbook Reference), 3-beta,14,16-beta-Trihydroxy-5-beta-card-20(22)-enolide 3-acetate, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-, 3-ACETATE
Technical Specifications
| Molecular Formula | C25H36O6 |
| Molecular Weight | 432.2512 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.2512 Da |
| Heavy Atoms | 31 |
| Complexity | 821.0 |
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)O)O)C)C |
| InChIKey | IBVUJOOHHPQIOV-KMESBTIVSA-N |
Chemical Property Profile of 3-Monoacetylgitoxigenin
Property Insights of 3-Monoacetylgitoxigenin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Monoacetylgitoxigenin. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Monoacetylgitoxigenin. Following Lipinski's Rule of Five, 3-Monoacetylgitoxigenin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Monoacetylgitoxigenin?
The CAS number of 3-Monoacetylgitoxigenin is 1059-21-8.
What is the molecular formula of 3-Monoacetylgitoxigenin?
The molecular formula of 3-Monoacetylgitoxigenin is C25H36O6.
What is the molecular weight of 3-Monoacetylgitoxigenin?
The molecular weight of 3-Monoacetylgitoxigenin is 432.2512 g/mol.
Where can I buy 3-Monoacetylgitoxigenin?
You can request a quote for 3-Monoacetylgitoxigenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Monoacetylgitoxigenin?
Yes, CoreyChem provides custom synthesis services for 3-Monoacetylgitoxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.