TL;DR: azadirachtin (CAS 11141-17-6) is a chemical compound with molecular formula C35H44O16 and molecular weight 720.26294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 12-acetyloxy-4,7-dihydroxy-6-(2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl)-6-methyl-14-(2-methylbut-2-enoyloxy)-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
Also Known As: azadirachtin, azadirachtin B, Azadirachtin A, Dimethyl 10-(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-4-methyl-8-((2-methylbut-2-enoyl)oxy)octahydro-1H,7H-naphtho(1,8a-c:4,5-b'c')difuran-5,10a(8H)-dicarboxylate, Dimethyl 10-(acetyloxy)-3,5-dihydroxy-4-(6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-4-methyl-8-[(2-methylbut-2-enoyl)oxy]octahydro-1H,7H-naphtho[1,8a-c:4,5-b'c']difuran-5,10a(8H)-dicarboxylate
| Molecular Formula | C35H44O16 |
| Molecular Weight | 720.26294 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 215.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 720.26294 Da |
| Heavy Atoms | 51 |
| Complexity | 1660.0 |
| SMILES | CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C |
| InChIKey | FTNJWQUOZFUQQJ-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that azadirachtin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.0 Ų indicates high polarity, suggesting azadirachtin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, azadirachtin has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of azadirachtin is 11141-17-6.
The molecular formula of azadirachtin is C35H44O16.
The molecular weight of azadirachtin is 720.26294 g/mol.
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