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[ CAS No. 26751-24-6 ] {[proInfo.proName]}

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Chemical Structure| 26751-24-6
Chemical Structure| 26751-24-6
Structure of 26751-24-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 26751-24-6 ]

CAS No. :26751-24-6 MDL No. :MFCD03839866
Formula : C8H10N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :LQXRWFGXMQZLIV-UHFFFAOYSA-N
M.W : 166.18 Pubchem ID :11030183
Synonyms :

Calculated chemistry of [ 26751-24-6 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 42.6
TPSA : 65.98 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) : -7.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.45
Log Po/w (XLOGP3) : 0.32
Log Po/w (WLOGP) : 0.6
Log Po/w (MLOGP) : -0.01
Log Po/w (SILICOS-IT) : 1.31
Consensus Log Po/w : 0.53

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.31
Solubility : 8.06 mg/ml ; 0.0485 mol/l
Class : Very soluble
Log S (Ali) : -1.27
Solubility : 8.95 mg/ml ; 0.0538 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.48
Solubility : 5.52 mg/ml ; 0.0332 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.6

Safety of [ 26751-24-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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