GSK1349572 supplier | CasNO.1051375-16-6

Name
GSK1349572
EINECS
CAS No. 1051375-16-6
Article Data22
CAS DataBase
Density 1.532 g/cm³
Solubility
Melting Point 188-192°C
Formula C₂₀H₁₉F₂N₃O₅
Boiling Point 668.958 °C at 760 mmHg
Molecular Weight 419.13
Flash Point 358.373 °C
Transport Information
Appearance White to Pale Yellow Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-;2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-;
PSA 100.87000
LogP 1.68160

GSK1349572 Specification

The GSK1349572, with the CAS registry number 1051375-16-6, is also known as 2H-Pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide, N-[(2,4-difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-7-hydroxy-4-methyl-6,8-dioxo-, (4R,12aS)-. This chemical's molecular formula is C₂₀H₁₉F₂N₃O₅ and molecular weight is 419.13. What's more, its IUPAC name is called (4R,12aS)-N-(2,4-Difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide. GSK1349572 is an experimental new drug under investigation for the treatment of HIV infection. It is an integrase inhibitor. Studies have shown this chemical to be effective in patients with resistance to the only currently available integrase inhibitor, raltegravir.

Physical properties about GSK1349572 are: (1)ACD/LogP: 0.399; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1.00; (4)ACD/BCF (pH 7.4): 1.00; (5)ACD/KOC (pH 5.5): 5.15; (6)ACD/KOC (pH 7.4): 1.00; (7)#H bond acceptors: 8; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 99.18 Å²; (11)Index of Refraction: 1.65; (12)Molar Refractivity: 99.811 cm³; (13)Molar Volume: 273.775 cm³; (14)Surface Tension: 67.442 dyne/cm; (15)Density: 1.532 g/cm³; (16)Flash Point: 358.373 °C; (17)Enthalpy of Vaporization: 103.285 kJ/mol; (18)Boiling Point: 668.958 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@@H]1CCO[C@@H]2N1C(=O)c3c(c(=O)c(cn3C2)C(=O)NCc4ccc(cc4F)F)O
(2) InChI: InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
(3) InChIKey: RHWKPHLQXYSBKR-BMIGLBTASA-N

Product Name

GSK1349572

GSK1349572 Specification

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