azadirachtin B
TL;DR: azadirachtin B (CAS 95507-03-2) is a chemical compound with molecular formula C35H44O16 and molecular weight 720.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (4S,5S,6S,7S,8R,11S,12R,14R,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-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: azadirachtin B, Dimethyl (4S,5S,6S,7S,8R,11S,12R,14R,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-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate, 1H,7H-Naphtho(1,8-bc:4,4a-c')difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-4-((1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro(2,3-b)oxireno(e)oxepin-1a(2H)-yl)-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-, 1H,7H-Naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-, Dimethyl (2aR,3S,4S,4aS,5S,8R,10R,10aS,10bS)-10-(acetyloxy)-3,5-dihydroxy-4-[(1aR,3aS,6aS,7R,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-4-methyl-8-{[(2E)-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 | 720.26 g/mol |
| LogP | -0.2031 |
| Topological Polar Surface Area | 215.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 720.26294 |
| Heavy Atoms | 51 |
| Complexity | 1660.7355 |
Chemical Identifiers
| CAS Number | 95507-03-2 |
|---|---|
| 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)OC(=O)C |
Product Overview
azadirachtin B (CAS 95507-03-2), with molecular formula C35H44O16 and molecular weight 720.26 g/mol. IUPAC: dimethyl (4S,5S,6S,7S,8R,11S,12R,14R,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-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 azadirachtin B
Property Insights of azadirachtin B
The XLogP value of -0.2031 indicates that azadirachtin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.34 Ų indicates high polarity, suggesting azadirachtin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, azadirachtin B has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of azadirachtin B?
The CAS number of azadirachtin B is 95507-03-2.
What is the molecular formula of azadirachtin B?
The molecular formula of azadirachtin B is C35H44O16.
What is the molecular weight of azadirachtin B?
The molecular weight of azadirachtin B is 720.26 g/mol.
Where can I buy azadirachtin B?
You can request a quote for azadirachtin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for azadirachtin B?
Yes, KEHONG BIO provides custom synthesis services for azadirachtin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.