TL;DR: 5-N-acetyl-15bbeta-hydroxyardeemin (CAS 148717-81-1) is a chemical compound with molecular formula C28H28N4O4 and molecular weight 484.21106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,12R,15S,23R)-16-acetyl-1-hydroxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
Also Known As: 5-N-Acetyl-15b-hydroxyardeemin, 5-N-acetyl-15bbeta-hydroxyardeemin, 5-N-acetyl-15bbeta- hydroxyardeemin, (1R,12R,15S,23R)-16-acetyl-1-hydroxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione, (1R,12R,15S,23R)-16-acetyl-1-hydroxy-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo(12.10.0.02,11.04,9.015,23.017,22)tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
| Molecular Formula | C28H28N4O4 |
| Molecular Weight | 484.21106 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 484.21106 Da |
| Heavy Atoms | 36 |
| Complexity | 1070.0 |
| SMILES | C[C@@H]1C(=O)N2[C@H]3[C@@](C[C@]2(C4=NC5=CC=CC=C5C(=O)N14)O)(C6=CC=CC=C6N3C(=O)C)C(C)(C)C=C |
| InChIKey | UTVHCNQHDCRVMF-HMGCFDHMSA-N |
The XLogP value of 3.0 indicates that 5-N-acetyl-15bbeta-hydroxyardeemin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-N-acetyl-15bbeta-hydroxyardeemin. Following Lipinski's Rule of Five, 5-N-acetyl-15bbeta-hydroxyardeemin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-N-acetyl-15bbeta-hydroxyardeemin is 148717-81-1.
The molecular formula of 5-N-acetyl-15bbeta-hydroxyardeemin is C28H28N4O4.
The molecular weight of 5-N-acetyl-15bbeta-hydroxyardeemin is 484.21106 g/mol.
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