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[ CAS No. 15328-32-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 15328-32-2
Chemical Structure| 15328-32-2
Structure of 15328-32-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 15328-32-2 ]

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Product Citations

Product Details of [ 15328-32-2 ]

CAS No. :15328-32-2 MDL No. :MFCD00134556
Formula : C7H4N4 Boiling Point : -
Linear Structure Formula :- InChI Key :JPUHPGALPBINPO-UHFFFAOYSA-N
M.W : 144.13 Pubchem ID :854385
Synonyms :

Calculated chemistry of [ 15328-32-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.54
TPSA : 54.5 ?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) : -6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.38
Log Po/w (XLOGP3) : 1.28
Log Po/w (WLOGP) : 0.76
Log Po/w (MLOGP) : 0.79
Log Po/w (SILICOS-IT) : 0.46
Consensus Log Po/w : 0.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.15
Solubility : 1.03 mg/ml ; 0.00715 mol/l
Class : Soluble
Log S (Ali) : -2.02
Solubility : 1.36 mg/ml ; 0.00946 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.77
Solubility : 2.42 mg/ml ; 0.0168 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.05

Safety of [ 15328-32-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P301+P310-P311 UN#:3439
Hazard Statements:H301-H311-H331 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 15328-32-2 ]

* 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 [ 15328-32-2 ]

[ 15328-32-2 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 143-33-9 ]
  • [ 21050-95-3 ]
  • [ 15328-32-2 ]
  • [ 28992-50-9 ]
  • 2
  • [ 506-68-3 ]
  • [ 15217-42-2 ]
  • [ 15328-32-2 ]
  • [ 28992-50-9 ]
  • 3
  • [ 95-14-7 ]
  • [ 506-68-3 ]
  • [ 15328-32-2 ]
  • [ 28992-50-9 ]
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