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1086062-66-9

Basic Information
CAS No.: 1086062-66-9
Name: GSK-2126458
Article Data: 2
Molecular Structure:
Molecular Structure of 1086062-66-9 (GSK-2126458)
Formula: C25H17F2N5O3S
Molecular Weight: 505.504
Synonyms: GSK 2126458;2,4-Difluoro-N-[2-methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide;
EINECS: 629-873-1
Density: 1.45 g/cm3
Melting Point: 187-189 °C
Boiling Point: 715.6±70.0 °C(Predicted)
PSA: 115.34000
LogP: 5.99520
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    in stock;manufacture Application:additives;pharma;health care

    OUR CAPACITY: We are a manufacture prodessional for fine chemicals. Our skilled team provides R&D services including route design, custom synthesis, pilot production as well as man

  • Shanghai Bosman Industrial Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-21-63065878-8006 15800915896

    Address:Rm907, No.1611, North Sichuan Road, Hongkou District, Shanghai, 200080 China

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  • GSK2126458

  • Casno:

    1086062-66-9

    GSK2126458

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    United Scientific Company Located in Shanghai of China , is a competitive player in the global specialty and fine chemical market. Fenghua has both the expertise and flexibility to produce a wide range of chemicals. Focusing on developing the innovat

    United Scientific Company (USC) Located in Shanghai of China , is a competitive player in the global specialty and fine chemical market. USC has both the expertise and flexibility

  • Shanghai united Scientific Co.,Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-21-53535353

    Address:28F No.900 huaihai Road Shanghai China

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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