TL;DR: RefChem:301359 (CAS 63979-64-6) is a chemical compound with molecular formula C28H38O9 and molecular weight 518.2516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5S,10S,13R,14S)-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] 2-acetyloxypropanoate
Also Known As: alpha-Acetyloxypropionyl-k-strophanthidin, k-Strophanthidin, alpha-acetyloxypropionyl-, 4-18-00-03134 (Beilstein Handbook Reference), 2-Hydroxymethyl-2-lauroylamino-propan-1,3-diol, (3-beta,5-beta)-3-(2-(Acetyloxy)-1-oxopropoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
| Molecular Formula | C28H38O9 |
| Molecular Weight | 518.2516 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.2516 Da |
| Heavy Atoms | 37 |
| Complexity | 1040.0 |
| SMILES | CC(C(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4(C(CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O)OC(=O)C |
| InChIKey | QBMMODUFPLCLPF-WEEXNRQCSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301359. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:301359. Following Lipinski's Rule of Five, RefChem:301359 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:301359 is 63979-64-6.
The molecular formula of RefChem:301359 is C28H38O9.
The molecular weight of RefChem:301359 is 518.2516 g/mol.
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