CAS No.483367-10-8,Purmorphamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	483367-10-8
Name:	Purmorphamine

Formula:	C₃₁H₃₂N₆O₂
Molecular Weight:	520.62
Synonyms:	9-Cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine;
EINECS:	200-256-5
Density:	1.353 g/cm³
Melting Point:	210-212 °C
Boiling Point:	790.313 °C at 760 mmHg
Flash Point:	431.766 °C
Appearance:	Light Tan Solid
PSA:	77.33000
LogP:	6.99520

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Specification

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