TL;DR: Azadirachtol (CAS 101508-37-6) is a chemical compound with molecular formula C32H46O6 and molecular weight 526.32947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(5R,7R,9R,10S,11R,13S,17R)-11-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-methylpropyl)-2,5-dihydrofuran-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
Also Known As: Azadirachtol, (8xi,21S,23R)-11alpha,21-Dihydroxy-4,4,8-trimethyl-3-oxo-5alpha,13alpha,17alpha-21,23-epoxycholesta-1,14,20(22)-trien-7alpha-yl acetate, [(5R,7R,9R,10S,11R,13S,17R)-11-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-methylpropyl)-2,5-dihydrofuran-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate, 11,21-Dihydroxy-4,4,8-trimethyl-3-oxo-21,23-epoxycholesta-1,14,20(22)-trien-7-yl acetate
| Molecular Formula | C32H46O6 |
| Molecular Weight | 526.32947 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.32947 Da |
| Heavy Atoms | 38 |
| Complexity | 1110.0 |
| SMILES | CC(C)C[C@@H]1C=C([C@H](O1)O)[C@@H]2CC=C3[C@]2(C[C@H]([C@H]4C3([C@@H](C[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)OC(=O)C)C)O)C |
| InChIKey | MUYYQGZLSSBBNW-MXCLQDMSSA-N |
The XLogP value of 4.4 indicates that Azadirachtol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Azadirachtol. Following Lipinski's Rule of Five, Azadirachtol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Azadirachtol is 101508-37-6.
The molecular formula of Azadirachtol is C32H46O6.
The molecular weight of Azadirachtol is 526.32947 g/mol.
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