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[ CAS No. 6232-92-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6232-92-4
Chemical Structure| 6232-92-4
Structure of 6232-92-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 6232-92-4 ]

CAS No. :6232-92-4 MDL No. :MFCD06659794
Formula : C7H6N4O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :HSEDDANFWUMVCY-UHFFFAOYSA-N
M.W : 178.15 Pubchem ID :5220052
Synonyms :

Calculated chemistry of [ 6232-92-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.32
TPSA : 100.52 ?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) : -6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.26
Log Po/w (XLOGP3) : 1.08
Log Po/w (WLOGP) : 1.06
Log Po/w (MLOGP) : -0.24
Log Po/w (SILICOS-IT) : -0.88
Consensus Log Po/w : 0.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.07
Solubility : 1.51 mg/ml ; 0.00849 mol/l
Class : Soluble
Log S (Ali) : -2.78
Solubility : 0.294 mg/ml ; 0.00165 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.93
Solubility : 2.09 mg/ml ; 0.0117 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.09

Safety of [ 6232-92-4 ]

Signal Word:Warning Class:
Precautionary Statements:P305+P351+P338 UN#:
Hazard Statements:H302-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6232-92-4 ]

* 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 [ 6232-92-4 ]
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