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[ CAS No. 141124-58-5 ] {[proInfo.proName]}

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Chemical Structure| 141124-58-5
Chemical Structure| 141124-58-5
Structure of 141124-58-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 141124-58-5 ]

CAS No. :141124-58-5 MDL No. :MFCD29044857
Formula : C4H8Cl2N4O Boiling Point : -
Linear Structure Formula :- InChI Key :RJCJNXXYYTWFCM-UHFFFAOYSA-N
M.W : 199.04 Pubchem ID :91989309
Synonyms :

Calculated chemistry of [ 141124-58-5 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 46.79
TPSA : 98.05 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.75
Log Po/w (WLOGP) : 0.97
Log Po/w (MLOGP) : -0.67
Log Po/w (SILICOS-IT) : -0.84
Consensus Log Po/w : 0.04

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.95
Solubility : 2.23 mg/ml ; 0.0112 mol/l
Class : Very soluble
Log S (Ali) : -2.39
Solubility : 0.814 mg/ml ; 0.00409 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.32
Solubility : 95.7 mg/ml ; 0.481 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.96

Safety of [ 141124-58-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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