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RepSox

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RepSox

EINECS N/A
CAS No. 446859-33-2 Density 1.297 g/cm3
PSA 67.35000 LogP 3.39030
Solubility N/A Melting Point 195 °C
Formula C17H13N5 Boiling Point 501.911 °C at 760 mmHg
Molecular Weight 287.32 Flash Point 230.461 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 446859-33-2 (2-(3-(6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-4-YL)-1,5-NAPHTHYRIDINE) Hazard Symbols ToxicT
Synonyms

1,5-Naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-;Alk 5 Inhibitor II;SJN 2511;

Article Data 2

RepSox Specification

2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine is an organic compound with the formula C17H13N5, and its systematic name is the same with the product name. With the CAS registry number 446859-33-2, it is also named as 1,5-Naphthyridine, 2-[3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-. It belongs to the product category of Selective inhibitor of the TGF-β type I receptor ALK5. In addition, the molecular weight is 287.32. This chemical is toxic if swallowed. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

Physical properties of 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine are: (1)ACD/LogP: 2.453; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 43.04; (6)ACD/BCF (pH 7.4): 42.84; (7)ACD/KOC (pH 5.5): 514.10; (8)ACD/KOC (pH 7.4): 511.81; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.35 Å2; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 84.902 cm3; (15)Molar Volume: 221.611 cm3; (16)Polarizability: 33.658×10-24cm3; (17)Surface Tension: 66.0 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 230.461 °C; (20)Enthalpy of Vaporization: 74.162 kJ/mol; (21)Boiling Point: 501.911 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(n1)c2c(c[nH]n2)c3ccc4c(n3)cccn4
(2)Std. InChI: InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
(3)Std. InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-N

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