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

Specs ID search result

AJ-333/36117059 is available in 2213 mg

Compound details
MDL #:		MFCD01928416
Formula:		C16 H24 N4 O2
Weight:		304.39
Salt Data:		HCl
Chiral info:		Not available
Name:		2-{4-[3-(1-pyrrolidinylcarbonyl)-2-pyridinyl]-1-piperazinyl}ethanol
SMILES:		OCCN1CCN(CC1)c3ncccc3(C(=O)N2CCCC2)
InChI^TM:		InChI=1S/C16H24N4O2/c21-13-12-18-8-10-19(11-9-18)15-14(4-3-5-17-15)16(22)20-6-1-2-7-20/h3-5,21H,1-2,6-13H2
InChIKey^TM:		ILMYQBRDOSZTEW-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		2060 mg/Kg
Chronic LOAEL:		12.5 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	0.46	H-acceptors: 6
LogS:	-1.81	H-donors: 1
tPSA:	59.91 Å²	Rotatable bonds: 5

Purchase 10 mg of AJ-333/36117059 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.