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[ CAS No. 27328-69-4 ] {[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+
Chemical Structure| 27328-69-4
Chemical Structure| 27328-69-4
Structure of 27328-69-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 27328-69-4 ]

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Product Details of [ 27328-69-4 ]

CAS No. :27328-69-4 MDL No. :MFCD24458996
Formula : C8H6Cl2N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :USFRWHBPXGUKFJ-UHFFFAOYSA-N
M.W : 201.05 Pubchem ID :14062703
Synonyms :

Calculated chemistry of [ 27328-69-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 50.87
TPSA : 28.68 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) : -5.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.45
Log Po/w (XLOGP3) : 2.61
Log Po/w (WLOGP) : 2.8
Log Po/w (MLOGP) : 2.34
Log Po/w (SILICOS-IT) : 3.6
Consensus Log Po/w : 2.56

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.22
Solubility : 0.121 mg/ml ; 0.000603 mol/l
Class : Soluble
Log S (Ali) : -2.86
Solubility : 0.276 mg/ml ; 0.00137 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.55
Solubility : 0.00563 mg/ml ; 0.000028 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.67

Safety of [ 27328-69-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:1759
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:
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