TL;DR: Methylprednisolone acetate (CAS 1048031-82-8) is a chemical compound with molecular formula C24H32O6 and molecular weight 416.21988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(6R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Methylprednisolone acetate, Methylprednisolone Acetate EP Impurity J, 6b-Muethyl Prednisolone 21-Acetate, 6beta-Methyl prednisolone 21-acetate, 6beta-Muethyl Prednisolone 21-Acetate
| Molecular Formula | C24H32O6 |
| Molecular Weight | 416.21988 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.21988 Da |
| Heavy Atoms | 30 |
| Complexity | 858.0 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O |
| InChIKey | PLBHSZGDDKCEHR-GUTMJZMYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylprednisolone acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylprednisolone acetate. Following Lipinski's Rule of Five, Methylprednisolone acetate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methylprednisolone acetate is 1048031-82-8.
The molecular formula of Methylprednisolone acetate is C24H32O6.
The molecular weight of Methylprednisolone acetate is 416.21988 g/mol.
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