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[ CAS No. 1862532-60-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 1862532-60-2
Chemical Structure| 1862532-60-2
Chemical Structure| 1862532-60-2
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Product Details of [ 1862532-60-2 ]

CAS No. :1862532-60-2 MDL No. :MFCD31561227
Formula : C8H4Br2ClF Boiling Point : -
Linear Structure Formula :- InChI Key :GTSFIWZEADYULZ-UHFFFAOYSA-N
M.W : 314.38 Pubchem ID :130531991
Synonyms :

Calculated chemistry of [ 1862532-60-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.24
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.82
Log Po/w (XLOGP3) : 4.67
Log Po/w (WLOGP) : 4.88
Log Po/w (MLOGP) : 4.72
Log Po/w (SILICOS-IT) : 4.43
Consensus Log Po/w : 4.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.04
Solubility : 0.0029 mg/ml ; 0.00000922 mol/l
Class : Moderately soluble
Log S (Ali) : -4.4
Solubility : 0.0126 mg/ml ; 0.0000401 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.07
Solubility : 0.00268 mg/ml ; 0.00000853 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.99

Safety of [ 1862532-60-2 ]

Signal Word:Warning Class:
Precautionary Statements:P260-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H312-H315-H319-H332-H335-H373-H412 Packing Group:
GHS Pictogram:
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