GSK 2126458 supplier | CasNO.1086062-66-9

Name
GSK-2126458
EINECS 629-873-1
CAS No. 1086062-66-9
Article Data2
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point 187-189 °C
Formula C₂₅H₁₇F₂N₅O₃S
Boiling Point 715.6±70.0 °C(Predicted)
Molecular Weight 505.504
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms GSK 2126458;2,4-Difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide;
PSA 115.34000
LogP 5.99520

GSK 2126458 Specification

The GSK2126458, with the CAS registry number 1086062-66-9, has the IUPAC name 2,4-difluoro-N-[2-methoxy-4-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide. Its molecular formula is C₂₅H₁₇F₂N₅O₃S and its molecular weight is 505.50.

Other characteristics of the GSK2126458 can be summarised as followings: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.436; (4)ACD/LogD (pH 7.4): 3.554; (5)ACD/BCF (pH 5.5): 1354.29; (6)ACD/BCF (pH 7.4): 177.708; (7)ACD/KOC (pH 5.5): 5907.731; (8)ACD/KOC (pH 7.4): 775.203; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 115.34 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 128.685 cm³; (15)Molar Volume: 348.553 cm³; (16)Polarizability: 51.015×10^-24cm³; (17)Surface Tension: 65.052 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 386.576 °C; (20)Enthalpy of Vaporization: 104.589 kJ/mol; (21)Boiling Point: 715.592 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F
2.InChI: InChI=1/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
3.InChIKey: CGBJSGAELGCMKE-UHFFFAOYAK

Product Name

GSK-2126458

GSK 2126458 Specification

Related Products

Hot Products