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439081-18-2

Basic Information
CAS No.: 439081-18-2
Name: BIBW 2992
Article Data: 40
Cas Database
Molecular Structure:
Molecular Structure of 439081-18-2 (BIBW 2992)
Formula: C24H25ClFN5O3
Molecular Weight: 485.946
Synonyms: Tovok;BIBW 2992;
EINECS: 1308068-626-2
Density: 1.380 g/cm3
Melting Point: 100 - 102 °C
Boiling Point: 676.917 °C at 760 mmHg
Flash Point: 363.186 °C
Solubility: N/A
Appearance: Off-White Solid
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 88.61000
LogP: 4.53590
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  • BIBW2992

  • Casno:

    439081-18-2

    BIBW2992

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0/Metric Ton

    Arromax mission: promoting human health, using our creativity to realize self-values and undertake social responsibility Arromax vision: to be a leading global platform for technological innovation and a famous brand of new drugs Arromax cultu

    Arromax Pharmatech Co., Ltd. is a high-tech enterprise, mainly specializing in innovative drugs in the field of anti-cancer, cardiovascular and others, meanwhile committed to devel

  •  Arromax Pharmatech Co.,Ltd

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    Business Type:Lab/Research institutions

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    Address:Suite 401, Bldg A3, 218 Xinghu St.Suzhou Industrial Park 215123, P.R. China

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  • BIBW 2992

  • Casno:

    439081-18-2

    BIBW 2992

    Min.Order: 100 Gram

    FOB Price:  USD $ 0.0-0.0/Gram

    Appearance:white or light yellow crystalline powder Storage:Store in a cool,dry place and keep away from direct strong light Package:As customer request Application:Used for research and industrial manufacture. Transportation:By

    Triumph International Development Limilted is engaged in the API, pharmaceutical intermediates research and developmen.Adhering to the "customer first" business philosophy,we suppl

  •  Triumph International Development Limilted

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    Tel:+86-536-7971999

    Address:Yinhai Road,Shouguang

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  • Afatinib

  • Casno:

    439081-18-2

    Afatinib

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0/Gram

    Our company provides one-stop services of research - development - production for a variety of special prouducts. Not only do we make effective use of our strong technological strength, but also establish of cooperative relations with several well-

    Taizhou Crene Biotechnology Co., Ltd.is a leading supplier of active pharmaceutical ingredients (APIs), with GLP labs and GMP manufacturing facilities engaging in organic synthesis

  •  Taizhou Crene Biotechnology co.ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-576-88813233 88205808

    Address:Economic Developed Zone of Taizhou Zhejiang China

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Specification

The IUPAC name of this chemical is (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide. With the CAS registry number 439081-18-2, it is also named as BIBW 2992. The other registry number is 915958-11-1. And it is soluble in DMSO. Additionally, this chemical should be stored in the cool and dry place and protected from light.

 The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 48; (8)#H bond acceptors: 8; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.668; (12)Molar Refractivity: 131.219 cm3; (13)Molar Volume: 351.988 cm3; (14)Polarizability: 52.019×10-24 cm3; (15)Surface Tension: 60.13 dyne/cm; (16)Enthalpy of Vaporization: 99.376 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C; (18)Rotatable Bond Count: 8; (19)Tautomer Count: 6; (20)Exact Mass: 485.162996; (21)MonoIsotopic Mass: 485.162996; (22)Topological Polar Surface Area: 88.6; (23)Heavy Atom Count: 34; (24)Complexity: 702.

Uses of BIBW 2992: It is a candidate drug against non-small cell lung carcinoma, developed by Boehringer Ingelheim. Like lapatinib and neratinib, it is a next generation tyrosine kinase inhibitor (TKI) that irreversibly inhibits human epidermal growth factor receptor 2 (Her2) and epidermal growth factor receptor (EGFR) kinases.

People can use the following data to convert to the molecule structure.
(1)SMILES: CN(C)C/C=C/C(=O)Nc1cc2c(cc1OC3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
(2)InChI: InChI=1/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+
(3)InChIKey: ULXXDDBFHOBEHA-ONEGZZNKBC