Product Name

  • Name

    2-Propenamide, N-hydroxy-3-[4-[[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-

  • EINECS
  • CAS No. 404951-53-7
  • Density 1.29 g/cm3
  • Solubility
  • Melting Point
  • Formula C22H25N3O3
  • Boiling Point
  • Molecular Weight 379.4522
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 404951-53-7 (2-Propenamide, N-hydroxy-3-[4-[[(2-hydroxyethyl)[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-)
  • Hazard Symbols
  • Synonyms Dacinostat;NVP-LAQ 824;3-[4-[N-(2-Hydroxyethyl)-N-[2-(1H-indol-3-yl)ethyl]aminomethyl]phenyl]-2(E)-propenohydroxamic acid;(2E)-N-Hydroxy-3-(4-({(2-hydroxyethyl)(2-(1H-indol-3-yl)ethyl)amino}methyl)phenyl)propenamide;
  • PSA 88.59000
  • LogP 3.11440

Dacinostat Specification

The CAS register number of Dacinostat is 404951-53-7. It also can be called as 3-[4-[N-(2-Hydroxyethyl)-N-[2-(1H-indol-3-yl)ethyl]aminomethyl]phenyl]-2(E)-propenohydroxamic acid and the IUPAC name about this chemical is (E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide. The molecular formula about this chemical is C22H25N3O3 and the molecular weight is 379.46. Classification code about this chemical are Antitumor agent and Inhibitor of Histone Deacetylase.

Physical properties about Dacinostat are: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): 2.81; (4)ACD/BCF (pH 5.5): 1.22; (5)ACD/BCF (pH 7.4): 58.3; (6)ACD/KOC (pH 5.5): 9.04; (7)ACD/KOC (pH 7.4): 432.75; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 46.94Å2; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 112.76 cm3; (14)Molar Volume: 294 cm3; (15)Polarizability: 44.7x10-24cm3; (16)Surface Tension: 64.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NO)\C=C\c1ccc(cc1)CN(CCO)CCc3c2ccccc2nc3
(2)InChI: InChI=1/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
(3)InChIKey: BWDQBBCUWLSASG-MDZDMXLPBH
(4)Std. InChI: InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+
(5)Std. InChIKey: BWDQBBCUWLSASG-MDZDMXLPSA-N

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