CAS No.487021-52-3,AR-A014418 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	487021-52-3
Name:	AR-A014418
Article Data:	4

Formula:	C₁₂H₁₂N₄O₄S
Molecular Weight:	308.318
Synonyms:	Urea, N-[(4-methoxyphenyl)methyl]-N'-(5-nitro-2-thiazolyl)-;
Density:	1.464 g/cm³
Melting Point:	208-210 C (dec.)
Hazard Symbols:	Xn
Risk Codes:	22-37/38-41
Safety:	26-36/39
PSA:	137.31000
LogP:	3.36870

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Specification

The AR-A0-14418, with the CAS registry number 487021-52-3, is also known as Urea, N-[(4-methoxyphenyl)methyl]-N'-(5-nitro-2-thiazolyl)-. It belongs to the product category of Other Enzyme Inhibitors and Activators. This chemical's molecular formula is C₁₂H₁₂N₄O₄S and molecular weight is 308.317. What's more, its systematic name is called 1-(4-Methoxybenzyl)-3-(5-nitro-1,3-thiazol-2-yl)urea. It can be used as a Glycogen Synthase Kinase 3β (GSK-3β) inhibitor.

Physical properties about AR-A0-14418 are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/BCF (pH 5.5): 3.69; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 73.1; (7)ACD/KOC (pH 7.4): 3.23; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 119.73 Å²; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 78.3 cm³; (14)Molar Volume: 210.5 cm³; (15)Surface Tension: 66.1 dyne/cm; (16)Density: 1.464 g/cm³.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to respiratory system and skin. It is harmful if swallowed and it may risk of serious damage to eyes. Therefore, you should wear suitable protective clothing and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ncc(s1)[N+]([O-])=O)NCc2ccc(OC)cc2
(2) InChI: InChI=1/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
(3) InChIKey: YAEMHJKFIIIULI-UHFFFAOYAT