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[ CAS No. 433294-98-5 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 433294-98-5
Chemical Structure| 433294-98-5
Chemical Structure| 433294-98-5
Structure of 433294-98-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 433294-98-5 ]

CAS No. :433294-98-5 MDL No. :MFCD06254584
Formula : C5H2Cl2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :JGZHZSXAYXXCFB-UHFFFAOYSA-N
M.W : 192.99 Pubchem ID :4738458
Synonyms :

Calculated chemistry of [ 433294-98-5 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.08
TPSA : 58.71 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) : -6.1 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.08
Log Po/w (XLOGP3) : 1.94
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 0.49
Log Po/w (SILICOS-IT) : 0.59
Consensus Log Po/w : 1.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.6
Solubility : 0.489 mg/ml ; 0.00253 mol/l
Class : Soluble
Log S (Ali) : -2.8
Solubility : 0.308 mg/ml ; 0.00159 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.64
Solubility : 0.441 mg/ml ; 0.00229 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.83

Safety of [ 433294-98-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H320-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 433294-98-5 ]

* 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 [ 433294-98-5 ]

[ 433294-98-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 433294-98-5 ]
  • [ 1240609-53-3 ]
  • 2
  • [ 433294-98-5 ]
  • 4-chloro-2-(4-fluorophenyl)-3,6-dimethyl-3H-imidazo[4,5-c]pyridine [ No CAS ]
  • 3
  • [ 433294-98-5 ]
  • [ 74-89-5 ]
  • C6H6ClN3O2 [ No CAS ]
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