CAS No.850140-73-7,BIBW2992 DiMaleate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850140-73-7
Name:	BIBW2992 DiMaleate
Article Data:	19

Formula:	C₂₄H₂₅ClFN₅O₃·2C₄H₄O₄
Molecular Weight:	718.092
Synonyms:	BIBW 2992MA2;
EINECS:	810-416-1
Boiling Point:	983.1 °C at 760 mmHg
Flash Point:	548.3 °C
PSA:	241.30000
LogP:	4.53600

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Specification

The Afatinib dimaleate, with the CAS registry number 850140-73-7, is also known as 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:2). This chemical's molecular formula is C₂₄H₂₅ClFN₅O₃·2C₄H₄O₄ and molecular weight is 718.08. What's more, its systematic name is (2E)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydro-3-furanyloxy]-6-quinazolinyl}-4-(dimethylamino)-2-butenamide (2Z)-2-butenedioate (1:2). Its classification code is Antineoplastic.

Physical properties of Afatinib dimaleate are: (1)ACD/LogP: 2.074; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 16; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 176.23 Å²; (7)Flash Point: 548.3 °C; (8)Enthalpy of Vaporization: 150.11 kJ/mol; (9)Boiling Point: 983.1 °C at 760 mmHg; (10)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)O.O=C(O)\C=C/C(=O)O.Fc1ccc(cc1Cl)Nc4ncnc3cc(O[C@H]2CCOC2)c(cc34)NC(=O)/C=C/CN(C)C
(2)Std. InChI: InChI=1S/C24H25ClFN5O3.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);2*1-2H,(H,5,6)(H,7,8)/b4-3+;2*2-1-/t16-;;/m0../s1
(3)Std. InChIKey: USNRYVNRPYXCSP-JUGPPOIOSA-N