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[ CAS No. 81067-41-6 ] 1,3-Dibromo-2,5-dichlorobenzene

Cat. No.: A617890
Chemical Structure| 81067-41-6
Chemical Structure| 81067-41-6
Structure of 81067-41-6 * Storage: Sealed in dry,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 1g $16.00 Inquiry Inquiry
98% 5g $20.00 Inquiry Inquiry
98% 10g $32.00 Inquiry Inquiry
98% 25g $39.00 Inquiry Inquiry
98% 100g $118.00 Inquiry Inquiry

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Product Details of [ 81067-41-6 ]

CAS No. :81067-41-6 MDL No. :MFCD00070784
Formula : C6H2Br2Cl2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :HKKSDHKJUSSWAI-UHFFFAOYSA-N
M.W : 304.79 Pubchem ID :14029667
Synonyms :

Calculated chemistry of [ 81067-41-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 51.86
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) : -4.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.61
Log Po/w (XLOGP3) : 4.56
Log Po/w (WLOGP) : 4.52
Log Po/w (MLOGP) : 4.93
Log Po/w (SILICOS-IT) : 4.49
Consensus Log Po/w : 4.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.05
Solubility : 0.00274 mg/ml ; 0.00000898 mol/l
Class : Moderately soluble
Log S (Ali) : -4.28
Solubility : 0.0159 mg/ml ; 0.0000521 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.32
Solubility : 0.00146 mg/ml ; 0.00000479 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.94

Safety of [ 81067-41-6 ]

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