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[ CAS No. 175135-09-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 175135-09-8
Chemical Structure| 175135-09-8
Chemical Structure| 175135-09-8
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Product Details of [ 175135-09-8 ]

CAS No. :175135-09-8 MDL No. :MFCD00042199
Formula : C6H3Br2ClFN Boiling Point : -
Linear Structure Formula :- InChI Key :PRZBEZGEEPNKRO-UHFFFAOYSA-N
M.W : 303.35 Pubchem ID :2736480
Synonyms :

Calculated chemistry of [ 175135-09-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 51.21
TPSA : 26.02 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.22
Log Po/w (XLOGP3) : 3.35
Log Po/w (WLOGP) : 4.01
Log Po/w (MLOGP) : 3.98
Log Po/w (SILICOS-IT) : 3.57
Consensus Log Po/w : 3.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.23
Solubility : 0.0177 mg/ml ; 0.0000582 mol/l
Class : Moderately soluble
Log S (Ali) : -3.57
Solubility : 0.0809 mg/ml ; 0.000267 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.63
Solubility : 0.00718 mg/ml ; 0.0000237 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.86

Safety of [ 175135-09-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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