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[ CAS No. 33184-48-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 33184-48-4
Chemical Structure| 33184-48-4
Structure of 33184-48-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 33184-48-4 ]

CAS No. :33184-48-4 MDL No. :MFCD00060661
Formula : C7H6ClI Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZIOGCIPQDRCAKY-UHFFFAOYSA-N
M.W : 252.48 Pubchem ID :141766
Synonyms :

Calculated chemistry of [ 33184-48-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.14
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
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) : -4.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.43
Log Po/w (XLOGP3) : 4.11
Log Po/w (WLOGP) : 3.25
Log Po/w (MLOGP) : 4.1
Log Po/w (SILICOS-IT) : 3.91
Consensus Log Po/w : 3.56

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.49
Solubility : 0.00821 mg/ml ; 0.0000325 mol/l
Class : Moderately soluble
Log S (Ali) : -3.82
Solubility : 0.0386 mg/ml ; 0.000153 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.36
Solubility : 0.0111 mg/ml ; 0.0000442 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.78

Safety of [ 33184-48-4 ]

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