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[ CAS No. 78910-06-2 ] 1-Ethyl-1H-1,2,3-triazole

Cat. No.: A612314
Chemical Structure| 78910-06-2
Chemical Structure| 78910-06-2
Structure of 78910-06-2 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $11.00 Inquiry Inquiry
97% 250mg $19.00 Inquiry Inquiry
97% 1g $54.00 Inquiry Inquiry
97% 5g $166.00 Inquiry Inquiry
97% 10g $277.00 Inquiry Inquiry
97% 25g $557.00 Inquiry Inquiry

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Product Details of [ 78910-06-2 ]

CAS No. :78910-06-2 MDL No. :MFCD18324607
Formula : C4H7N3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ALNWCYLRUYXLCD-UHFFFAOYSA-N
M.W : 97.12 Pubchem ID :10887837
Synonyms :

Calculated chemistry of [ 78910-06-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 26.09
TPSA : 30.71 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) : -6.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.33
Log Po/w (XLOGP3) : -0.02
Log Po/w (WLOGP) : 0.3
Log Po/w (MLOGP) : -0.13
Log Po/w (SILICOS-IT) : 0.29
Consensus Log Po/w : 0.35

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.89
Solubility : 12.5 mg/ml ; 0.128 mol/l
Class : Very soluble
Log S (Ali) : -0.18
Solubility : 64.9 mg/ml ; 0.668 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.74
Solubility : 17.5 mg/ml ; 0.18 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 78910-06-2 ]

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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