Product Name

  • Name

    PD 0325901

  • EINECS 687-152-7
  • CAS No. 391210-10-9
  • Article Data7
  • CAS DataBase
  • Density 1.818 g/cm3
  • Solubility
  • Melting Point 112-114 °C
  • Formula C16H14F3IN2O4
  • Boiling Point
  • Molecular Weight 482.198
  • Flash Point
  • Transport Information
  • Appearance white powder
  • Safety 22-36/37/39-61
  • Risk Codes 25-48-50
  • Molecular Structure Molecular Structure of 391210-10-9 (PD 0325901)
  • Hazard Symbols T,N
  • Synonyms N-[(2R)-2,3-Dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide;(R)-(-)-N-(2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide;Benzamide, N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-;
  • PSA 90.82000
  • LogP 2.93060

PD 0325901 Specification

The IUPAC name of PD 0325901 is N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide. With the CAS registry number 391210-10-9, it is also named as (R)-(-)-N-(2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-benzamide. The product's category is API. In addition, its molecular formula is C16H14F3IN2O4 and molecular weight is 482.19.

The other characteristics of PD 0325901 can be summarized as: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 28180; (6)ACD/BCF (pH 7.4): 28179; (7)ACD/KOC (pH 5.5): 53315; (8)ACD/KOC (pH 7.4): 53315; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 90.82 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 96.178 cm3; (15)Molar Volume: 265.287 cm3; (16)Polarizability: 38.128×10-24cm3; (17)Surface Tension: 60.812 dyne/cm; (18)Density: 1.818 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NOC[C@H](O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F
(2)InChI: InChI=1/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
(3)InChIKey: SUDAHWBOROXANE-SECBINFHBO
(4)Std. InChI: InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1
(5)Std. InChIKey: SUDAHWBOROXANE-SECBINFHSA-N

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