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[ CAS No. 88002-33-9 ] [1,2,4]Triazolo[1,5-a]pyrazin-2-amine

Cat. No.: A110357
Chemical Structure| 88002-33-9
Chemical Structure| 88002-33-9
Structure of 88002-33-9 * Storage: Keep in dark place,Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $9.00 Inquiry Inquiry
97% 250mg $19.00 Inquiry Inquiry
97% 1g $33.00 Inquiry Inquiry
97% 5g $95.00 Inquiry Inquiry
97% 25g $474.00 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 [ 88002-33-9 ]

CAS No. :88002-33-9 MDL No. :MFCD11847742
Formula : C5H5N5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :UUYSQAYUTMLLBO-UHFFFAOYSA-N
M.W : 135.13 Pubchem ID :13033266
Synonyms :

Calculated chemistry of [ 88002-33-9 ]      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 : 35.19
TPSA : 69.1 Ų

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) : -7.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.02
Log Po/w (XLOGP3) : -0.67
Log Po/w (WLOGP) : -0.29
Log Po/w (MLOGP) : -0.42
Log Po/w (SILICOS-IT) : -0.62
Consensus Log Po/w : -0.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.92
Solubility : 16.2 mg/ml ; 0.12 mol/l
Class : Very soluble
Log S (Ali) : -0.31
Solubility : 66.6 mg/ml ; 0.493 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.95
Solubility : 15.2 mg/ml ; 0.112 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.21

Safety of [ 88002-33-9 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338-P310 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
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