CAS No.11141-17-6,AZADIRACHTIN A Suppliers

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Basic Information

Molecular Structure:
CAS No.:	11141-17-6
Name:	AZADIRACHTIN A
Article Data:	7

Formula:	C₃₅H₄₄O₁₆
Molecular Weight:	720.725
Synonyms:	1H,7H-Naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylicacid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-4-(3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl)-,dimethyl ester, [2aR-[2aa,3b,4b(1aR,2S,3aS,6aS,7S,7aS),4ab,5a,7aS*,8b(E),10b,10aa,10bb]]-;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,8S,10R,10aS,10bR)- (9CI);Align;Azadirachtin A;Azatin;Azatin EC;Azatin Magnum;Azatin XL;BioNEEM;Ecozin;Gronim;Oikos;Oikos 25 plus;Oikos 323 Bio;Ornazin;Safer BioNEEM;Suneem;
Density:	1.51 g/cm³
Melting Point:	159 °C
Boiling Point:	792.413 °C at 760 mmHg
Flash Point:	244.841 °C
Risk Codes:	22
Safety:	22-45
PSA:	212.04000
LogP:	-0.20310

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Specification

Azadirachtin, with the CAS NO.11141-17-6, its synonyms are Azadirachtin-A; Bioneem; CCIRS 9142; EPA Pesticide Chemical Code 121701; HSDB 7372; NSC 368675; NeemAzal. Azadirachtin, a chemical compound belonging to the limonoid group, is a secondary metabolite present in neem seeds. It was initially found to be active as a feeding inhibitor towards the desert locust (Schistocerca gregaria), it is now known to affect over 200 species of insect, by acting mainly as an antifeedant and growth disruptor, and as such it possesses considerable toxicity toward insects (LD50(S. littoralis): 15 ug/g).

Physical properties about Azadirachtin are: (1)ACD/LogP: 1.753; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.66; (6)ACD/BCF (pH 7.4): 12.60; (7)ACD/KOC (pH 5.5): 214.10; (8)ACD/KOC (pH 7.4): 213.22; (9)#H bond acceptors: 16; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 167.971 cm³; (14)Molar Volume: 476.224 cm³; (15)Polarizability: 66.589 10-24cm³; (16)Surface Tension: 70.1620025634766 dyne/cm; (17)Density: 1.513 g/cm³; (18)Flash Point: 244.841 °C; (19)Enthalpy of Vaporization: 131.312 kJ/mol; (20)Boiling Point: 792.413 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20?,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1;
(2)InChIKey=FTNJWQUOZFUQQJ-KEGXRQICSA-N;
(3)SmilesC1[C@H]([C@]2(C(=O)OC)[C@H]3[C@@]4(CO[C@@]([C@H]4[C@]([C@@H]([C@@H]3OC2)O)(C)[C@@]23O[C@]2([C@@H]2[C@@]4([C@H](O[C@@H]3C2)OC=C4)O)C)(C(OC)=O)O)[C@H]1OC(=O)\C(C)=C\C)OC(=O)C