CAS No.827318-97-8,Danusertib Suppliers

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Basic Information

Molecular Structure:
CAS No.:	827318-97-8
Name:	Danusertib

Formula:	C₂₆H₃₀N₆O₃
Molecular Weight:	474.55
Synonyms:	PHA-739358;Benzamide,4-(4-methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2R)-methoxyphenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]-(9CI);N-[5-((2R)-2-Methoxy-2-phenylethanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide;
Density:	1.322 g/cm³
Boiling Point:	664.149 °C at 760 mmHg
Flash Point:	355.465 °C
Appearance:	white powder
PSA:	93.80000
LogP:	2.65750

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Specification

1. Introduction of Danusertib

Danusertib, with the IUPAC Name of N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide, is one kind of powder. When you store it, it should be kept in the following condition: 2 years(-20℃,Powder),2weeks(4℃, in DMSO),6 months,-80℃,in DMSO). And other detailed information are as below: with barely perceptile out and acid taste; soluble in hot water, slightly soluble in water, practically insoluble in ethanol, acetone, aether.

2. Properties of Danusertib

Danusertib has the following property datas: (1)Boiling point: 664.149 °C at 760 mmHg; (2)Flash Point: 355.465 °C; (3)Density: 1.322 g/cm3; (4)Surface Tension: 65.375 dyne/cm; (5)Enthalpy of Vaporization: 97.677 kJ/mol; (6)XLogP3-AA: 1.8; (7)H-Bond Donor: 2; (8)H-Bond Acceptor: 6.

3. Structure Descriptors of Danusertib

You could convert the following datas into the molecular structure:
(1).Canonical SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)C(C5=CC=CC=C5)OC
(2). Isomeric SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)[C@@H)(C5=CC=CC=C5)OC
(3).InChI: InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
(4).InChIKey: XKFTZKGMDDZMJI-HSZRJFAPSA-N