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| CAS No.: | 565460-15-3 |
|---|---|
| Name: | URB602 |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C19H21NO2 |
| Molecular Weight: | 295.381 |
| Synonyms: | Carbamic acid, N-[1,1'-biphenyl]-3-yl-, cyclohexyl ester;Cyclohexyl biphenyl-3-ylcarbamate; |
| Density: | 1.149 g/cm3 |
| Melting Point: | 122-123 °C |
| Boiling Point: | 416.611 °C at 760 mmHg |
| Flash Point: | 205.759 °C |
| Appearance: | off-white solid |
| PSA: | 38.33000 |
| LogP: | 5.30780 |
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Specification
The URB602, with the CAS registry number 565460-15-3, is also known as Carbamic acid, N-[1,1'-biphenyl]-3-yl-, cyclohexyl ester. It belongs to the product categories of All Inhibitors; Inhibitors; Pharmaceutical Intermediate; Aromatics; Research Chemical. This chemical's molecular formula is C19H21NO2 and molecular weight is 295.38. What's more, its systematic name is called Cyclohexyl biphenyl-3-ylcarbamate. This chemical is a compound that has been found to inhibit hydrolysis of monoacyl glycerol compounds, such as 2-arachidonoylglycerol and 2-oleoylglycerol. URB602 is a selective inhibitor of MGL, exhibiting an IC50 of 28 μm for the rat brain enzyme. It does not inhibit fatty acid amide hydrolase at concentrations up to 100 μm, or other lipid metabolizing enzymes.
Physical properties about URB602 are: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 19102; (6)ACD/BCF (pH 7.4): 19102; (7)ACD/KOC (pH 5.5): 40363; (8)ACD/KOC (pH 7.4): 40363; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 87.315 cm3; (15)Molar Volume: 257.005 cm3; (16)Surface Tension: 48.547 dyne/cm; (17)Density: 1.149 g/cm3; (18)Flash Point: 205.759 °C; (19)Enthalpy of Vaporization: 66.988 kJ/mol; (20)Boiling Point: 416.611 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CCCCC1)Nc3cc(c2ccccc2)ccc3
(2) InChI: InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)
(3) InChIKey: HHVUFQYJOSFTEH-UHFFFAOYSA-N