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

Specs ID search result

AF-399/41981333 is available in 163 mg

Compound details
MDL #:		MFCD03861499
Formula:		C16 H17 Cl2 N O3
Weight:		342.22
Chiral info:		Not available
Name:		N-(3,4-dichlorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILES:		CC3(C)(C1(C)(CCC3(OC1(=O))(C(=O)Nc2ccc(c(c2)Cl)Cl)))
InChI^TM:		InChI=1S/C16H17Cl2NO3/c1-14(2)15(3)6-7-16(14,22-13(15)21)12(20)19-9-4-5-10(17)11(18)8-9/h4-5,8H,6-7H2,1-3H3,(H,19,20)
InChIKey^TM:		ZGDIQHPWMXXVQA-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1080 mg/Kg
Chronic LOAEL:		3740 mg/Kg

Chemical properties calculations
LogP:	2.92	H-acceptors: 4
LogS:	-4.19	H-donors: 1
tPSA:	55.4 Å²	Rotatable bonds: 3

Purchase 10 mg of AF-399/41981333 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.