alpha-i-Valeryloxypropionyl-k-strophanthidin
TL;DR: alpha-i-Valeryloxypropionyl-k-strophanthidin (CAS 63979-74-8) is a chemical compound with molecular formula C31H44O9 and molecular weight 560.2985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-1-oxopropan-2-yl] 3-methylbutanoate
Also Known As: alpha-i-Valeryloxypropionyl-k-strophanthidin, k-Strophanthidin, alpha-isovaleryloxypropionyl-, 4-18-00-03134 (Beilstein Handbook Reference), 5-beta-Card-20(22)-enolide, 5,14-dihydroxy-3-beta-(2-(3-methyl-1-oxobutoxy)-1-oxopropoxy)-19-oxo-, 5,14-Dihydroxy-3-({2-[(3-methylbutanoyl)oxy]propanoyl}oxy)-19-oxocard-20(22)-enolide
Technical Specifications
| Molecular Formula | C31H44O9 |
| Molecular Weight | 560.2985 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.2985 Da |
| Heavy Atoms | 40 |
| Complexity | 1100.0 |
| SMILES | CC(C)CC(=O)OC(C)C(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O |
| InChIKey | APRJUYNZWKJHCB-AFBWHMRBSA-N |
Chemical Property Profile of alpha-i-Valeryloxypropionyl-k-strophanthidin
Property Insights of alpha-i-Valeryloxypropionyl-k-strophanthidin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-i-Valeryloxypropionyl-k-strophanthidin. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-i-Valeryloxypropionyl-k-strophanthidin. Following Lipinski's Rule of Five, alpha-i-Valeryloxypropionyl-k-strophanthidin has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of alpha-i-Valeryloxypropionyl-k-strophanthidin?
The CAS number of alpha-i-Valeryloxypropionyl-k-strophanthidin is 63979-74-8.
What is the molecular formula of alpha-i-Valeryloxypropionyl-k-strophanthidin?
The molecular formula of alpha-i-Valeryloxypropionyl-k-strophanthidin is C31H44O9.
What is the molecular weight of alpha-i-Valeryloxypropionyl-k-strophanthidin?
The molecular weight of alpha-i-Valeryloxypropionyl-k-strophanthidin is 560.2985 g/mol.
Where can I buy alpha-i-Valeryloxypropionyl-k-strophanthidin?
You can request a quote for alpha-i-Valeryloxypropionyl-k-strophanthidin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-i-Valeryloxypropionyl-k-strophanthidin?
Yes, CoreyChem provides custom synthesis services for alpha-i-Valeryloxypropionyl-k-strophanthidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.