Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AK-968/40641125 is available in 64 mg

Compound details
MDL #:		MFCD02605535
Formula:		C13 H13 Br N2 O2 S
Weight:		341.23
Chiral info:		Not available
Name:		5-(5-bromo-2-isopropoxybenzylidene)-2-imino-1,3-thiazolidin-4-one
SMILES:		CC(C)Oc2ccc(cc2(C=C1C(=O)NC(=N)S1))Br
InChI^TM:		InChI=1S/C13H13BrN2O2S/c1-7(2)18-10-4-3-9(14)5-8(10)6-11-12(17)16-13(15)19-11/h3-7H,1-2H3,(H2,15,16,17)
InChIKey^TM:		AYOBDFWXKDDMRV-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		49.7 mg/Kg
Chronic LOAEL:		3.78 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		0.99

Chemical properties calculations
LogP:	3.49	H-acceptors: 3
LogS:	-4.67	H-donors: 2
tPSA:	87.48 Å²	Rotatable bonds: 3

Purchase 10 mg of AK-968/40641125 for only 20 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

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.