Product Name

  • Name

    MK-1775

  • EINECS
  • CAS No. 955365-80-7
  • Article Data7
  • CAS DataBase
  • Density 1.293 g/cm3
  • Solubility
  • Melting Point
  • Formula C27H32N8O2
  • Boiling Point 723.804 °C at 760 mmHg
  • Molecular Weight 500.603
  • Flash Point 391.543 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 955365-80-7 (MK-1775)
  • Hazard Symbols
  • Synonyms 2-allyl-1,8-dimethoxyanthracene-9,10-dione;2-allyl-1,8-dimethoxy-9,10-anthraquinone;2-allyl-1-[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one;9,10-Anthracenedione,1,8-dimethoxy-2-(2-propenyl);
  • PSA 104.34000
  • LogP 2.96190

MK-1775 Specification

The MK-1775 is an organic compound with the formula C27H32N8O2. The systematic name of this chemical is 2-allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-2-pyridyl]-6-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidin-3-one. With the CAS registry number 955365-80-7, it is also named as 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one.

Physical properties about MK-1775 are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.041; (4)ACD/LogD (pH 7.4): 2.769; (5)ACD/BCF (pH 5.5): 1.004; (6)ACD/BCF (pH 7.4): 53.633; (7)ACD/KOC (pH 5.5): 7.581; (8)ACD/KOC (pH 7.4): 405.171; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 100.96 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 142.013 cm3; (15)Molar Volume: 387.225 cm3; (16)Polarizability: 56.298×10-24cm3; (17)Surface Tension: 63.671 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 391.543 °C; (20)Enthalpy of Vaporization: 110.968 kJ/mol; (21)Boiling Point: 723.804 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(c1cccc(n1)n2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)c(=O)n2CC=C)O
(2)InChI: InChI=1/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
(3)InChIKey: BKWJAKQVGHWELA-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C27H32N8O2/c1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37/h5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31)
(5)Std. InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View