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[ CAS No. 851986-00-0 ]

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type HazMat fee
Excepted Quantity Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
Accessible (Haz class 3, 4, 5 or 8), International USD 133.00
3d Animation Molecule Structure of 851986-00-0
Chemical Structure| 851986-00-0
Chemical Structure| 851986-00-0
Structure of 851986-00-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 851986-00-0 ]

CAS No. :851986-00-0 MDL No. :MFCD27929931
Formula : C6H6Cl2N2O Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :193.03 g/mol Pubchem ID :-
Synonyms :

Calculated chemistry of of [ 851986-00-0 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.51
TPSA : 35.01 Ų

Pharmacokinetics

GI absorption : High
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) : -5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.35
Log Po/w (XLOGP3) : 2.5
Log Po/w (WLOGP) : 2.1
Log Po/w (MLOGP) : 0.88
Log Po/w (SILICOS-IT) : 2.6
Consensus Log Po/w : 2.09

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.95
Solubility : 0.217 mg/ml ; 0.00112 mol/l
Class : Soluble
Log S (Ali) : -2.88
Solubility : 0.254 mg/ml ; 0.00132 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.4
Solubility : 0.0763 mg/ml ; 0.000395 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 851986-00-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:
GHS Pictogram:
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