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[ CAS No. 2265-93-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2265-93-2
Chemical Structure| 2265-93-2
Chemical Structure| 2265-93-2
Structure of 2265-93-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2265-93-2 ]

CAS No. :2265-93-2 MDL No. :MFCD00040151
Formula : C6H3F2I Boiling Point : -
Linear Structure Formula :- InChI Key :YKLDMAPEGQYZRT-UHFFFAOYSA-N
M.W :239.99 Pubchem ID :137519
Synonyms :

Calculated chemistry of [ 2265-93-2 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.07
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.1
Log Po/w (XLOGP3) : 2.77
Log Po/w (WLOGP) : 3.41
Log Po/w (MLOGP) : 4.06
Log Po/w (SILICOS-IT) : 3.67
Consensus Log Po/w : 3.2

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.57
Solubility : 0.0651 mg/ml ; 0.000271 mol/l
Class : Soluble
Log S (Ali) : -2.43
Solubility : 0.901 mg/ml ; 0.00375 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.91
Solubility : 0.0294 mg/ml ; 0.000122 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.38

Safety of [ 2265-93-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501 UN#:N/A
Hazard Statements:H227-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2265-93-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 2265-93-2 ]
  • Downstream synthetic route of [ 2265-93-2 ]

[ 2265-93-2 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 2265-93-2 ]
  • [ 75-05-8 ]
  • [ 624-75-9 ]
  • [ 372-18-9 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1997, vol. 70, # 8, p. 1875 - 1878
  • 2
  • [ 13697-89-7 ]
  • [ 75-05-8 ]
  • [ 624-75-9 ]
  • [ 372-18-9 ]
  • [ 2265-93-2 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 1997, vol. 70, # 8, p. 1875 - 1878
  • 3
  • [ 773837-37-9 ]
  • [ 2265-93-2 ]
  • [ 3939-09-1 ]
Reference: [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 14, p. 2345 - 2351
  • 4
  • [ 124-38-9 ]
  • [ 2265-93-2 ]
  • [ 74-88-4 ]
  • [ 106614-28-2 ]
Reference: [1] Journal of Organic Chemistry, 2005, vol. 70, # 11, p. 4314 - 4317
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