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

Specs ID search result

AN-989/40683451 is available in 119 mg

Compound details
MDL #:		MFCD02920885
Formula:		C20 H19 Cl N2 O2 S
Weight:		386.9
Chiral info:		Not available
Name:		3-(3-chlorophenyl)-5-[4-(diethylamino)benzylidene]-1,3-thiazolidine-2,4-dione
SMILES:		CCN(CC)c1ccc(cc1)C=C3C(=O)N(c2cccc(c2)Cl)C(=O)S3
InChI^TM:		InChI=1S/C20H19ClN2O2S/c1-3-22(4-2)16-10-8-14(9-11-16)12-18-19(24)23(20(25)26-18)17-7-5-6-15(21)13-17/h5-13H,3-4H2,1-2H3
InChIKey^TM:		VEZYCNLRESYQBX-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		495 mg/Kg
Chronic LOAEL:		4190 mg/Kg
AMES Mutagenicity:		0.99
Developmental Toxicity Potential:		0.75

Chemical properties calculations
LogP:	4.56	H-acceptors: 4
LogS:	-5.91
tPSA:	65.92 Å²	Rotatable bonds: 5

Purchase 10 mg of AN-989/40683451 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.