CAS No.212142-18-2,Vatalanib succinate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	212142-18-2
Name:	Vatalanib succinate

Formula:	C₂₄H₂₁ClN₄O₄
Molecular Weight:	464.9009
Synonyms:	1-Phthalazinamine,N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-, butanedioate (1:1) (9CI);CGP79787D;PTK 787;PTK 787/ZK 222584;PTK 787ZK22258;Vatalanib succinate;ZK222584;
Melting Point:	195°
Boiling Point:	587.8 °C at 760 mmHg
Flash Point:	309.3 °C
PSA:	125.30000
LogP:	5.02140

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Specification

The Vatalanib succinate, with CAS registry number 212142-18-2, has the systematic name of N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine butanedioate (1:1). And the chemical formula of this chemical is C₂₄H₂₁ClN₄O₄. What's more, its classification codes are Enzyme Inhibitors and Protein Kinase Inhibitors.

Physical properties of Vatalanib succinate: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 41.91 Å²; (7)Enthalpy of Vaporization: 87.76 kJ/mol; (8)Vapour Pressure: 8.48E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)O.Clc1ccc(cc1)Nc3nnc(c2c3cccc2)Cc4ccncc4
(2)InChI: InChI=1/C20H15ClN4.C4H6O4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;5-3(6)1-2-4(7)8/h1-12H,13H2,(H,23,25);1-2H2,(H,5,6)(H,7,8)
(3)InChIKey: LLDWLPRYLVPDTG-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C20H15ClN4.C4H6O4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;5-3(6)1-2-4(7)8/h1-12H,13H2,(H,23,25);1-2H2,(H,5,6)(H,7,8)
(5)Std. InChIKey: LLDWLPRYLVPDTG-UHFFFAOYSA-N