CAS No.1032754-93-0,(S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one Suppliers

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Molecular Structure:
CAS No.:	1032754-93-0
Name:	(S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
Article Data:	2

Formula:	C₂₃H₃₀N₈O₃S
Molecular Weight:	498.609
Synonyms:	(S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one;
Density:	1.4±0.1 g/cm³
Boiling Point:	718.6±70.0 °C at 760 mmHg
Flash Point:	388.4±35.7 °C
PSA:	162.80000
LogP:	0.77140

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Specification

The 1-Propanone, 1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinyl]-2-hydroxy-, (2S)-, with the CAS registry number 1032754-93-0, is also known as (S)-1-[4-[[2-(2-Aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one. It belongs to the product category of An Inhibitor of Class I PI3 Kinase and mTOR Kinase. This chemical's molecular formula is C₂₃H₃₀N₈O₃S and molecular weight is 498.60. What's more, its systematic name is called GDC-0980.

Physical properties about 1-Propanone, 1-[4-[[2-(2-amino-5-pyrimidinyl)-7-methyl-4-(4-morpholinyl)thieno[3,2-d]pyrimidin-6-yl]methyl]-1-piperazinyl]-2-hydroxy-, (2S)- are: (1)ACD/LogP: 0.45±1.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.00 ; (6)ACD/BCF (pH 7.4): 1.30; (7)ACD/KOC (pH 5.5): 30.18; (8)ACD/KOC (pH 7.4): 41.79; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 162.07 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 134.1±0.3 cm³; (15)Molar Volume: 356.2±3.0 cm³; (16)Polarizability: 53.2±0.5×10^-24cm³; (17)Surface Tension: 76.5±3.0 dyne/cm; (18)Density: 1.4±0.1 g/cm³; (19)Flash Point: 388.4±35.7 °C; (20)Enthalpy of Vaporization: 110.2±3.0 kJ/mol; (21)Boiling Point: 718.6±70.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±2.4 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(sc2c1nc(nc2N3CCOCC3)c4cnc(nc4)N)CN5CCN(CC5)C(=O)[C@H](C)O
(2) InChI: InChI=1S/C23H30N8O3S/c1-14-17(13-29-3-5-31(6-4-29)22(33)15(2)32)35-19-18(14)27-20(16-11-25-23(24)26-12-16)28-21(19)30-7-9-34-10-8-30/h11-12,15,32H,3-10,13H2,1-2H3,(H2,24,25,26)/t15-/m0/s1
(3) InChIKey: YOVVNQKCSKSHKT-HNNXBMFYSA-N