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[ CAS No. 60832-72-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 60832-72-6
Chemical Structure| 60832-72-6
Structure of 60832-72-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 60832-72-6 ]

CAS No. :60832-72-6 MDL No. :MFCD00204215
Formula : C6H4N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :OVLXOTUWFLHWQT-UHFFFAOYSA-N
M.W : 136.11 Pubchem ID :2799900
Synonyms :

Calculated chemistry of [ 60832-72-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.63
TPSA : 58.89 ?2

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) : -6.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.04
Log Po/w (XLOGP3) : 0.4
Log Po/w (WLOGP) : 0.52
Log Po/w (MLOGP) : 0.03
Log Po/w (SILICOS-IT) : 1.62
Consensus Log Po/w : 0.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.6
Solubility : 3.4 mg/ml ; 0.025 mol/l
Class : Very soluble
Log S (Ali) : -1.2
Solubility : 8.53 mg/ml ; 0.0627 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.42
Solubility : 0.52 mg/ml ; 0.00382 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.32

Safety of [ 60832-72-6 ]

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

Application In Synthesis of [ 60832-72-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 60832-72-6 ]
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