TL;DR: k-Strophanthidin, phenylacetyl- (CAS 63979-71-5) is a chemical compound with molecular formula C31H38O7 and molecular weight 522.2618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(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] 2-phenylacetate
Also Known As: k-Strophanthidin, phenylacetyl-, k-Strophanthidin,phenylacetyl, 4-18-00-03133 (Beilstein Handbook Reference), 5-beta-Card-20(22)-enolide, 5,14-dihydroxy-19-oxo-3-beta-((phenylacetyl)oxy)-, (3beta,5-beta)-, [(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] 2-phenylacetate
| Molecular Formula | C31H38O7 |
| Molecular Weight | 522.2618 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.2618 Da |
| Heavy Atoms | 38 |
| Complexity | 1020.0 |
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CC6=CC=CC=C6)C=O)O |
| InChIKey | BKVJSUAKPCZFQK-IXMWINEVSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for k-Strophanthidin, phenylacetyl-. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for k-Strophanthidin, phenylacetyl-. Following Lipinski's Rule of Five, k-Strophanthidin, phenylacetyl- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of k-Strophanthidin, phenylacetyl- is 63979-71-5.
The molecular formula of k-Strophanthidin, phenylacetyl- is C31H38O7.
The molecular weight of k-Strophanthidin, phenylacetyl- is 522.2618 g/mol.
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