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[ CAS No. 144797-68-2 ] {[proInfo.proName]}

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Chemical Structure| 144797-68-2
Chemical Structure| 144797-68-2
Structure of 144797-68-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 144797-68-2 ]

CAS No. :144797-68-2 MDL No. :MFCD04114449
Formula : C7H7ClF2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :QCCACCYICHJVIN-UHFFFAOYSA-N
M.W : 192.59 Pubchem ID :14590722
Synonyms :

Calculated chemistry of [ 144797-68-2 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 44.59
TPSA : 49.87 Ų

Pharmacokinetics

GI absorption : High
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) : -6.13 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.89
Log Po/w (WLOGP) : 2.89
Log Po/w (MLOGP) : 2.79
Log Po/w (SILICOS-IT) : 1.95
Consensus Log Po/w : 1.9

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.53
Solubility : 0.57 mg/ml ; 0.00296 mol/l
Class : Soluble
Log S (Ali) : -2.56
Solubility : 0.531 mg/ml ; 0.00276 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.68
Solubility : 0.406 mg/ml ; 0.00211 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.35

Safety of [ 144797-68-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 144797-68-2 ]

* 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.

  • Downstream synthetic route of [ 144797-68-2 ]
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