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AE-508/36396052 is available in 10 mg

Compound details
Formula:		C40 H30 O4
Weight:		574.67
Chiral info:		Not available
Name:		phenyl(10,11,12-tribenzoyltricyclo[6.2.2.0~2,7~]dodeca-2,4,6-trien-9-yl)methanone
SMILES:		[H]C4(C(=O)c1ccccc1)(C7c2ccccc2C(C4([H])(C(=O)c3ccccc3))C([H])(C(=O)c5ccccc5)C7([H])(C(=O)c6ccccc6))
InChI^TM:		InChI=1S/C40H30O4/c41-37(25-15-5-1-6-16-25)33-31-29-23-13-14-24-30(29)32(34(33)38(42)26-17-7-2-8-18-26)36(40(44)28-21-11-4-12-22-28)35(31)39(43)27-19-9-3-10-20-27/h1-24,31-36H
InChIKey^TM:		DDEOQHZARKTBMO-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1.27 mg/Kg
Chronic LOAEL:		115 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	7.41	H-acceptors: 4
LogS:	-9.71
tPSA:	68.28 Å²	Rotatable bonds: 8

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.