Basic Information | Post buying leads | Suppliers |
Name |
2-(1-Napthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine |
EINECS | 200-256-5 |
CAS No. | 483367-10-8 | Density | 1.353 g/cm3 |
PSA | 77.33000 | LogP | 6.99520 |
Solubility | N/A | Melting Point |
210-212 °C |
Formula | C31H32N6O2 | Boiling Point | 790.313 °C at 760 mmHg |
Molecular Weight | 520.62 | Flash Point | 431.766 °C |
Transport Information | N/A | Appearance | Light Tan Solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
9-Cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine; |
The 2-(1-Napthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine, with the CAS registry number 483367-10-8, is also known as 9-Cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine. It belongs to the product categories of Heterocyclic Compounds; Bases & Related Reagents; Heterocycles; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals; Lipid signaling. This chemical's molecular formula is C31H32N6O2 and molecular weight is 520.62. What's more, its systematic name is 9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthyloxy)-9H-purin-6-amine. This chemical can activate the Hedgehog pathway by targeting smoothened.
Physical properties of 2-(1-Napthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine are: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.52; (5)ACD/BCF (pH 5.5): 986.32; (6)ACD/BCF (pH 7.4): 1590.19; (7)ACD/KOC (pH 5.5): 4214.98; (8)ACD/KOC (pH 7.4): 6795.58; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.33 Å2; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 150.482 cm3; (15)Molar Volume: 384.662 cm3; (16)Polarizability: 59.656×10-24cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 431.766 °C; (20)Enthalpy of Vaporization: 114.955 kJ/mol; (21)Boiling Point: 790.313 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)cccc2Oc3nc(c4c(n3)n(cn4)C5CCCCC5)Nc6ccc(cc6)N7CCOCC7
(2)Std. InChI: InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)
(3)Std. InChIKey: FYBHCRQFSFYWPY-UHFFFAOYSA-N