CAS No.1038915-64-8,(S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxaMide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1038915-64-8
Name:	(S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxaMide
Article Data:	2

Formula:	C₁₉H₂₀N₄O
Molecular Weight:	356.855
Synonyms:	MK-4827 (HCl)
Density:	1.343 g/cm³
Melting Point:	144 °C
Boiling Point:	463.619 °C at 760 mmHg
Flash Point:	234.188 °C
PSA:	72.94000
LogP:	4.42250

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Specification

The CAS register number of MK-4827 (HCl) is 1038915-64-8. The systematic name about this chemical is 2-{4-[(3S)-Piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide. The molecular formula about this chemical is C₁₉H₂₀N₄O and the molecular weight is 320.3883.

Physical properties about MK-4827 (HCl) are: (1)ACD/LogP: 2.01; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.511; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 72.94 Å²; (10)Index of Refraction: 1.705; (11)Molar Refractivity: 92.745 cm³; (12)Molar Volume: 238.638 cm³; (13)Polarizability: 36.767x10^-24cm³; (14)Surface Tension: 56.836 dyne/cm; (15)Density: 1.343 g/cm³; (16)Flash Point: 234.188 °C; (17)Enthalpy of Vaporization: 72.488 kJ/mol; (18)Boiling Point: 463.619 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4
(2)InChI: InChI=1/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
(3)InChIKey: PCHKPVIQAHNQLW-CQSZACIVBN
(4)Std. InChI: InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
(5)Std. InChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-N