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

Specs ID search result

AF-399/41585699 is available in 142 mg

Compound details
MDL #:		MFCD03731250
Formula:		C18 H23 N O3
Weight:		301.38
Chiral info:		Not available
Name:		N-(2,4-dimethylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
SMILES:		Cc3ccc(NC(=O)C12(CCC(C)(C(=O)O1)C2(C)(C)))c(C)c3
InChI^TM:		InChI=1S/C18H23NO3/c1-11-6-7-13(12(2)10-11)19-14(20)18-9-8-17(5,15(21)22-18)16(18,3)4/h6-7,10H,8-9H2,1-5H3,(H,19,20)
InChIKey^TM:		INSNIXCGMCWKIP-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		716 mg/Kg
Chronic LOAEL:		759 mg/Kg

Chemical properties calculations
LogP:	2.16	H-acceptors: 4
LogS:	-3.24	H-donors: 1
tPSA:	55.4 Å²	Rotatable bonds: 3

Purchase 10 mg of AF-399/41585699 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.