印楝素
TL;DR: 印楝素 (CAS 11141-17-6) 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.
印楝素
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 | 720.26 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 720.26294 |
| Heavy Atoms | 51 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 11141-17-6 |
|---|---|
| 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 |
Product Overview
印楝素 (CAS 11141-17-6), with molecular formula C35H44O16 and molecular weight 720.26 g/mol. IUPAC: 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.
Chemical Property Profile of 印楝素
Property Insights of 印楝素
The XLogP value of -0.6 indicates that 印楝素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.0 Ų indicates high polarity, suggesting 印楝素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 印楝素 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 印楝素?
The CAS number of 印楝素 is 11141-17-6.
What is the molecular formula of 印楝素?
The molecular formula of 印楝素 is C35H44O16.
What is the molecular weight of 印楝素?
The molecular weight of 印楝素 is 720.26 g/mol.
Where can I buy 印楝素?
You can request a quote for 印楝素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 印楝素?
Yes, KEHONG BIO provides custom synthesis services for 印楝素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.