Name: SU5402
SKU: 215543-92-3

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Basic Information

Molecular Structure:
CAS No.:	215543-92-3
Name:	SU5402

Formula:	C₁₇H₁₆N₂O₃
Molecular Weight:	296.32
Synonyms:	3-[3-(2-Carboxyethyl)-4-methylpyrrol-2-methylidenyl]-2-indolinone;SU 5402;
Density:	1.363 g/cm³
Melting Point:	>222 °C (dec.)
Boiling Point:	592.647 °C at 760 mmHg
Flash Point:	312.222 °C
Appearance:	Yellow-Green Solid
PSA:	82.19000
LogP:	2.97100

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Specification

The CAS register number of 2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid is 215543-92-3. It also can be called as 3-[3-(2-Carboxyethyl)-4-methylpyrrol-2-methylidenyl]-2-indolinone and the systematic name about this chemical is 3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid. It belongs to the Angiogenesis and Metastasis.

Physical properties about 2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 1.17; (3)ACD/LogD (pH 7.4): -0.63; (4)ACD/BCF (pH 5.5): 2.82; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 41.68; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 51.54Å²; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 82.94 cm³; (14)Molar Volume: 217.3 cm³; (15)Polarizability: 32.88x10^-24cm³; (16)Surface Tension: 67.8 dyne/cm; (17)Enthalpy of Vaporization: 92.94 kJ/mol; (18)Boiling Point: 592.6 °C at 760 mmHg; (19)Vapour Pressure: 6.84E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
(2)InChI: InChI=1/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
(3)InChIKey: JNDVEAXZWJIOKB-JYRVWZFOBV
(4)Std. InChI: InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
(5)Std. InChIKey: JNDVEAXZWJIOKB-JYRVWZFOSA-N