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[ CAS No. 102000-57-7 ] 2-Vinylpyridin-4-amine

Cat. No.: A884717
Chemical Structure| 102000-57-7
Chemical Structure| 102000-57-7
Structure of 102000-57-7 * Storage: Keep in dark place,Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $234.00 Inquiry Inquiry
95% 250mg $348.00 Inquiry Inquiry
95% 1g $1080.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,2-8°C

* Shipping: Normal

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Product Details of [ 102000-57-7 ]

CAS No. :102000-57-7 MDL No. :MFCD11656644
Formula : C7H8N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :PIARMBBJTBYGDD-UHFFFAOYSA-N
M.W : 120.15 Pubchem ID :56845622
Synonyms :

Calculated chemistry of [ 102000-57-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.73
TPSA : 38.91 Ų

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) : -6.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.3
Log Po/w (XLOGP3) : 0.98
Log Po/w (WLOGP) : 1.21
Log Po/w (MLOGP) : 0.4
Log Po/w (SILICOS-IT) : 1.4
Consensus Log Po/w : 1.06

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.63
Solubility : 2.82 mg/ml ; 0.0235 mol/l
Class : Very soluble
Log S (Ali) : -1.39
Solubility : 4.95 mg/ml ; 0.0412 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.06
Solubility : 1.04 mg/ml ; 0.00865 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.57

Safety of [ 102000-57-7 ]

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