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1027572-46-8

Basic Information
CAS No.: 1027572-46-8
Name: 4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine
Molecular Structure:
Molecular Structure of 1027572-46-8 (4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine)
Formula: C15H17N5O
Molecular Weight: 283.33
Synonyms: 2-(4-Amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenol;
Density: 1.347 g/cm3
Boiling Point: 500.657 °C at 760 mmHg
Flash Point: 256.589 °C
PSA: 89.85000
LogP: 3.11730
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    4-AMINO-1-TERT-BUTYL-3-(2-HYDROXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the 4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine, CAS:1027572-46

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Specification

The chemical with CAS registry number of 1027572-46-8 is known as 4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine. The systematic name is 2-(4-Amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)phenol. In addition, the formula is C15H17N5O and the molecular weight is 283.33. This chemical can be used as an inhibitor of enzymes.

Physical properties about 4-Amino-1-tert-butyl-3-(2-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.584; (4)ACD/LogD (pH 7.4): 2.483; (5)ACD/BCF (pH 5.5): 53.356; (6)ACD/BCF (pH 7.4): 42.315; (7)ACD/KOC (pH 5.5): 588.808; (8)ACD/KOC (pH 7.4): 466.958; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 79.889 cm3; (14)Molar Volume: 210.309 cm3; (15)Surface Tension: 53.088 dyne/cm; (16)Density: 1.347 g/cm3; (17)Flash Point: 256.589 °C; (18)Enthalpy of Vaporization: 79.847 kJ/mol; (19)Boiling Point: 500.657 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(C)(C)n1c2c(c(n1)c3ccccc3O)c(ncn2)N
2. InChI: InChI=1/C15H17N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-6-4-5-7-10(9)21/h4-8,21H,1-3H3,(H2,16,17,18)
3. InChIKey: CPZBAYHPGAUAKO-UHFFFAOYAO