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| CAS No.: | 516480-79-8 |
|---|---|
| Name: | CHK2 Inhibitor II |
| Molecular Structure: | |
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| Formula: | C20H14ClN3O2 |
| Molecular Weight: | 363.803 |
| Synonyms: | 1H-benzimidazole-5-carboxamide, 2-[4-(4-chlorophenoxy)phenyl]-; 2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxylic acid amide; 2-[4-(4-chlorophenoxy)phenyl]-1H-benzimidazole-5-carboxamide |
| Density: | 1.391 g/cm3 |
| Boiling Point: | 637.097 °C at 760 mmHg |
| Flash Point: | 339.104 °C |
| Solubility: | DMSO: 18 mg/mL |
| Appearance: | Tan solid |
| PSA: | 81.99000 |
| LogP: | 5.65870 |
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- Total:25 Page 1 of 1 1
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Specification
The CHK2 Inhibitor II, with CAS registry number 516480-79-8, has the systematic name of 2-[4-(4-chlorophenoxy)phenyl]-1H-benzimidazole-6-carboxamide. Besides this, it is also called 1H-benzimidazole-5-carboxamide, 2-[4-(4-chlorophenoxy)phenyl]-. And the chemical formula of this chemical is C20H14ClN3O2. This chemical is a kind of tan solid. And it should be stored at the temperature of 2-8°C.
Physical properties of CHK2 Inhibitor II: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 81 Å2; (7)Index of Refraction: 1.703; (8)Molar Refractivity: 101.481 cm3; (9)Molar Volume: 261.619 cm3; (10)Polarizability: 40.23×10-24cm3; (11)Surface Tension: 63.886 dyne/cm; (12)Density: 1.391 g/cm3; (13)Flash Point: 339.104 °C; (14)Enthalpy of Vaporization: 94.116 kJ/mol; (15)Boiling Point: 637.097 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc4ccc(Oc3ccc(c2nc1ccc(cc1n2)C(=O)N)cc3)cc4
(2)InChI: InChI=1/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
(3)InChIKey: UXGJAOIJSROTTN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
(5)Std. InChIKey: UXGJAOIJSROTTN-UHFFFAOYSA-N