3-Desacetylazadirachtin
TL;DR: 3-Desacetylazadirachtin (CAS 37294-05-6) is a chemical compound with molecular formula C33H42O15 and molecular weight 678.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (4S,5R,6S,7S,8S,11S,12R,14S,15R)-4,7,12-trihydroxy-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-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
Also Known As: 3-Desacetylazadirachtin, Deacetylazadirachtin, 3-Deacetylazadirachtin, Azadirachtin, 3-O-deacetyl-, dimethyl (4S,5R,6S,7S,8S,11S,12R,14S,15R)-4,7,12-trihydroxy-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-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate
| Molecular Formula | C33H42O15 |
|---|---|
| Molecular Weight | 678.25 g/mol |
| LogP | -0.7739 |
| Topological Polar Surface Area | 209.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 678.2524 |
| Heavy Atoms | 48 |
| Complexity | 1545.8573 |
Chemical Identifiers
| CAS Number | 37294-05-6 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@H]3[C@@H]2C14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56C7C[C@@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)O |
Product Overview
3-Desacetylazadirachtin (CAS 37294-05-6), with molecular formula C33H42O15 and molecular weight 678.25 g/mol. IUPAC: dimethyl (4S,5R,6S,7S,8S,11S,12R,14S,15R)-4,7,12-trihydroxy-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-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate.
Chemical Property Profile of 3-Desacetylazadirachtin
Property Insights of 3-Desacetylazadirachtin
The XLogP value of -0.7739 indicates that 3-Desacetylazadirachtin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.27 Ų indicates high polarity, suggesting 3-Desacetylazadirachtin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Desacetylazadirachtin has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Desacetylazadirachtin?
The CAS number of 3-Desacetylazadirachtin is 37294-05-6.
What is the molecular formula of 3-Desacetylazadirachtin?
The molecular formula of 3-Desacetylazadirachtin is C33H42O15.
What is the molecular weight of 3-Desacetylazadirachtin?
The molecular weight of 3-Desacetylazadirachtin is 678.25 g/mol.
Where can I buy 3-Desacetylazadirachtin?
You can request a quote for 3-Desacetylazadirachtin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Desacetylazadirachtin?
Yes, KEHONG BIO provides custom synthesis services for 3-Desacetylazadirachtin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.