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[ CAS No. 14667-55-1 ] {[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| 14667-55-1
Chemical Structure| 14667-55-1
Structure of 14667-55-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 14667-55-1 ]

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Product Details of [ 14667-55-1 ]

CAS No. :14667-55-1 MDL No. :MFCD00006145
Formula : C7H10N2 Boiling Point : -
Linear Structure Formula :- InChI Key :IAEGWXHKWJGQAZ-UHFFFAOYSA-N
M.W : 122.17 Pubchem ID :26808
Synonyms :

Calculated chemistry of [ 14667-55-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.43
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.93
TPSA : 25.78 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.73
Log Po/w (XLOGP3) : 0.95
Log Po/w (WLOGP) : 1.4
Log Po/w (MLOGP) : 0.22
Log Po/w (SILICOS-IT) : 2.22
Consensus Log Po/w : 1.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.69
Solubility : 2.5 mg/ml ; 0.0205 mol/l
Class : Very soluble
Log S (Ali) : -1.08
Solubility : 10.2 mg/ml ; 0.0835 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.77
Solubility : 0.209 mg/ml ; 0.00171 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 14667-55-1 ]

Signal Word:Danger Class:3
Precautionary Statements:P261-P305+P351+P338 UN#:1993
Hazard Statements:H225-H302-H315-H319-H335 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 14667-55-1 ]

* 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 [ 14667-55-1 ]

[ 14667-55-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 134276-45-2 ]
  • [ 78-98-8 ]
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  • [ 5910-89-4 ]
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  • [ 80935-98-4 ]
  • [ 13925-07-0 ]
  • [ 15707-34-3 ]
  • 2
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  • [ 290-37-9 ]
  • [ 109-08-0 ]
  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • 3
  • [ 410538-35-1 ]
  • [ 78-98-8 ]
  • [ 109-08-0 ]
  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 1124-11-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 80935-98-4 ]
  • [ 13925-07-0 ]
  • [ 15707-34-3 ]
  • 4
  • [ 103404-72-4 ]
  • [ 78-98-8 ]
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  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 17398-16-2 ]
  • [ 13925-07-0 ]
  • [ 15707-34-3 ]
  • [ 18433-97-1 ]
  • 5
  • [ 275366-32-0 ]
  • [ 78-98-8 ]
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  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 80935-98-4 ]
  • [ 13925-07-0 ]
  • [ 22047-27-4 ]
  • [ 15707-34-3 ]
  • 6
  • [ 50-99-7 ]
  • [ 106325-92-2 ]
  • [ 290-37-9 ]
  • [ 109-08-0 ]
  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • 7
  • [ 106325-92-2 ]
  • [ 78-98-8 ]
  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 17398-16-2 ]
  • [ 13925-07-0 ]
  • [ 22047-26-3 ]
  • [ 22047-27-4 ]
  • [ 15707-34-3 ]
  • 8
  • [ 56-41-7 ]
  • [ 56-87-1 ]
  • [ 78-98-8 ]
  • [ 109-08-0 ]
  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 80935-98-4 ]
  • [ 13925-07-0 ]
  • [ 22047-26-3 ]
  • [ 15707-34-3 ]
  • 9
  • [ 56-45-1 ]
  • [ 56-87-1 ]
  • [ 78-98-8 ]
  • [ 290-37-9 ]
  • [ 109-08-0 ]
  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 80935-98-4 ]
  • [ 22047-27-4 ]
  • [ 15707-34-3 ]
  • 10
  • [ 52-90-4 ]
  • [ 56-87-1 ]
  • [ 50-99-7 ]
  • [ 290-37-9 ]
  • [ 109-08-0 ]
  • [ 5910-89-4 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
  • [ 15707-34-3 ]
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