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[ CAS No. 882167-77-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 882167-77-3
Chemical Structure| 882167-77-3
Structure of 882167-77-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 882167-77-3 ]

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Product Details of [ 882167-77-3 ]

CAS No. :882167-77-3 MDL No. :MFCD13368182
Formula : C7H8Cl2N2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :XGHILPUCRYAWIN-UHFFFAOYSA-N
M.W : 207.06 Pubchem ID :46781006
Synonyms :

Calculated chemistry of [ 882167-77-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.21
TPSA : 41.99 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.89
Log Po/w (WLOGP) : 1.9
Log Po/w (MLOGP) : 0.84
Log Po/w (SILICOS-IT) : 1.51
Consensus Log Po/w : 1.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.55
Solubility : 0.58 mg/ml ; 0.0028 mol/l
Class : Soluble
Log S (Ali) : -2.39
Solubility : 0.835 mg/ml ; 0.00403 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.02
Solubility : 0.196 mg/ml ; 0.000948 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.45

Safety of [ 882167-77-3 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:
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