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[ CAS No. 25194-01-8 ] {[proInfo.proName]}

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Chemical Structure| 25194-01-8
Chemical Structure| 25194-01-8
Structure of 25194-01-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 25194-01-8 ]

CAS No. :25194-01-8 MDL No. :MFCD05670545
Formula : C5H2Cl2N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :BZYQSSVTQJTUDD-UHFFFAOYSA-N
M.W : 192.99 Pubchem ID :3841070
Synonyms :

Calculated chemistry of [ 25194-01-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.08
TPSA : 58.71 ?2

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) : -6.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.3
Log Po/w (XLOGP3) : 1.88
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 1.3
Log Po/w (SILICOS-IT) : 0.59
Consensus Log Po/w : 1.47

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.56
Solubility : 0.533 mg/ml ; 0.00276 mol/l
Class : Soluble
Log S (Ali) : -2.73
Solubility : 0.355 mg/ml ; 0.00184 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.64
Solubility : 0.441 mg/ml ; 0.00229 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.87

Safety of [ 25194-01-8 ]

Signal Word:Danger Class:
Precautionary Statements:P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 UN#:
Hazard Statements:H302-H315-H317-H318-H335 Packing Group:
GHS Pictogram:
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