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[ CAS No. 1784489-02-6 ] {[proInfo.proName]}

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 1784489-02-6
Chemical Structure| 1784489-02-6
Chemical Structure| 1784489-02-6
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Product Details of [ 1784489-02-6 ]

CAS No. :1784489-02-6 MDL No. :
Formula : C10H11BrN2 Boiling Point : -
Linear Structure Formula :- InChI Key :TVHIOFKTOLCCTG-UHFFFAOYSA-N
M.W : 239.11 Pubchem ID :100027210
Synonyms :

Calculated chemistry of [ 1784489-02-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.3
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 58.31
TPSA : 17.82 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) : -5.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.66
Log Po/w (XLOGP3) : 3.3
Log Po/w (WLOGP) : 3.38
Log Po/w (MLOGP) : 3.04
Log Po/w (SILICOS-IT) : 2.57
Consensus Log Po/w : 2.99

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.85
Solubility : 0.0339 mg/ml ; 0.000142 mol/l
Class : Soluble
Log S (Ali) : -3.35
Solubility : 0.107 mg/ml ; 0.000447 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.77
Solubility : 0.0409 mg/ml ; 0.000171 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 1784489-02-6 ]

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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