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[ CAS No. 16263-60-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 16263-60-8
Chemical Structure| 16263-60-8
Chemical Structure| 16263-60-8
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Product Details of [ 16263-60-8 ]

CAS No. :16263-60-8 MDL No. :MFCD24646565
Formula : C7H4Cl2N2O Boiling Point : -
Linear Structure Formula :- InChI Key :UHKAIUSVDOTDNY-UHFFFAOYSA-N
M.W : 203.03 Pubchem ID :92134736
Synonyms :

Calculated chemistry of [ 16263-60-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.43
TPSA : 52.05 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 2.61
Log Po/w (WLOGP) : 2.72
Log Po/w (MLOGP) : 2.1
Log Po/w (SILICOS-IT) : 2.44
Consensus Log Po/w : 2.33

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.3
Solubility : 0.102 mg/ml ; 0.000503 mol/l
Class : Soluble
Log S (Ali) : -3.35
Solubility : 0.0901 mg/ml ; 0.000444 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.79
Solubility : 0.0327 mg/ml ; 0.000161 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.56

Safety of [ 16263-60-8 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P321-P332+P313-P337+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 16263-60-8 ]

* 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.

  • Downstream synthetic route of [ 16263-60-8 ]

[ 16263-60-8 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 16302-68-4 ]
  • [ 16263-60-8 ]
  • 2
  • 3,5-dichloro-<i>N</i>-ethoxycarbonyloxy-2-hydroxy-benzamidine [ No CAS ]
  • [ 16263-60-8 ]
  • 4
  • [ 16302-62-8 ]
  • [ 16263-60-8 ]
  • 5
  • [ 66571-27-5 ]
  • [ 16263-60-8 ]
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