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[ CAS No. 1227606-22-5 ] {[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 1227606-22-5
Chemical Structure| 1227606-22-5
Chemical Structure| 1227606-22-5
Structure of 1227606-22-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1227606-22-5 ]

CAS No. :1227606-22-5 MDL No. :MFCD16608130
Formula : C7H4Cl2F3N Boiling Point : -
Linear Structure Formula :- InChI Key :VETYBESERYLQPV-UHFFFAOYSA-N
M.W : 230.01 Pubchem ID :72207015
Synonyms :

Calculated chemistry of [ 1227606-22-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.01
TPSA : 12.89 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) : -5.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.05
Log Po/w (XLOGP3) : 2.79
Log Po/w (WLOGP) : 4.49
Log Po/w (MLOGP) : 2.78
Log Po/w (SILICOS-IT) : 3.98
Consensus Log Po/w : 3.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.23
Solubility : 0.134 mg/ml ; 0.000584 mol/l
Class : Soluble
Log S (Ali) : -2.72
Solubility : 0.441 mg/ml ; 0.00192 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.55
Solubility : 0.00641 mg/ml ; 0.0000279 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 1227606-22-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:1760
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:
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