azadirachtin I
TL;DR: azadirachtin I (CAS 134788-16-2) is a chemical compound with molecular formula C32H42O12 and molecular weight 618.26764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4R,5R,6S,7S,8R,11R,12R,14S,15S)-12-acetyloxy-4,7-dihydroxy-6-[(1R,2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecan-14-yl] (E)-2-methylbut-2-enoate
Also Known As: azadirachtin I, [(4R,5R,6S,7S,8R,11R,12R,14S,15S)-12-Acetyloxy-4,7-dihydroxy-6-[(1R,2S,6S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6,11-dimethyl-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecan-14-yl] (E)-2-methylbut-2-enoate, Butyloxycarbonyl-cyclo(aspartyl-prolyl-asparaginyl-lysyl) methyl ester
Technical Specifications
| Molecular Formula | C32H42O12 |
| Molecular Weight | 618.26764 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 618.26764 Da |
| Heavy Atoms | 44 |
| Complexity | 1380.0 |
| SMILES | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2C14CO[C@H]([C@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)O)C)OC(=O)C |
| InChIKey | DTVGLMFEPSBEIA-JPALLTBASA-N |
Chemical Property Profile of azadirachtin I
Property Insights of azadirachtin I
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for azadirachtin I. The TPSA of 163.0 Ų indicates high polarity, suggesting azadirachtin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, azadirachtin I has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of azadirachtin I?
The CAS number of azadirachtin I is 134788-16-2.
What is the molecular formula of azadirachtin I?
The molecular formula of azadirachtin I is C32H42O12.
What is the molecular weight of azadirachtin I?
The molecular weight of azadirachtin I is 618.26764 g/mol.
Where can I buy azadirachtin I?
You can request a quote for azadirachtin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for azadirachtin I?
Yes, CoreyChem provides custom synthesis services for azadirachtin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.