Alternatived Products of [ 3107-21-9 ]
Product Details of [ 3107-21-9 ]
CAS No. : 3107-21-9
MDL No. : MFCD16817656
Formula :
C6 H2 Cl3 F
Boiling Point :
-
Linear Structure Formula : -
InChI Key : DGWPPUWATNWMOW-UHFFFAOYSA-N
M.W : 199.44 g/mol
Pubchem ID : 15743604
Synonyms :
Calculated chemistry of [ 3107-21-9 ]
Physicochemical Properties
Num. heavy atoms :
10
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.0
Num. rotatable bonds :
0
Num. H-bond acceptors :
1.0
Num. H-bond donors :
0.0
Molar Refractivity :
41.43
TPSA :
0.0 Ų
Pharmacokinetics
GI absorption :
Low
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) :
-4.66 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.22
Log Po/w (XLOGP3) :
4.03
Log Po/w (WLOGP) :
4.21
Log Po/w (MLOGP) :
4.48
Log Po/w (SILICOS-IT) :
4.2
Consensus Log Po/w :
3.83
Druglikeness
Lipinski :
1.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
2.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-4.06
Solubility :
0.0174 mg/ml ; 0.0000872 mol/l
Class :
Moderately soluble
Log S (Ali) :
-3.73
Solubility :
0.0369 mg/ml ; 0.000185 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-4.53
Solubility :
0.0059 mg/ml ; 0.0000296 mol/l
Class :
Moderately soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
2.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
1.79
Application In Synthesis of [ 3107-21-9 ]
* 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 [ 3107-21-9 ]
Downstream synthetic route of [ 3107-21-9 ]