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[ CAS No. 20227-41-2 ] {[proInfo.proName]}

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CAS No. 20227-41-2, is a glycoscience compound, with a molecular weight of 269.23, molecular formula C10H12FN5O3, Ambeed provides reports for batches of (such as NMR, HPLC/GC).

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Chemical Structure| 20227-41-2
Chemical Structure| 20227-41-2
Structure of 20227-41-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 20227-41-2 ]

CAS No. :20227-41-2 MDL No. :MFCD12911815
Formula : C10H12FN5O3 Boiling Point : -
Linear Structure Formula :- InChI Key :ZGYYPTJWJBEXBC-GQTRHBFLSA-N
M.W : 269.23 Pubchem ID :11065470
Synonyms :

Calculated chemistry of [ 20227-41-2 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.5
Num. rotatable bonds : 2
Num. H-bond acceptors : 7.0
Num. H-bond donors : 3.0
Molar Refractivity : 61.56
TPSA : 119.31 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) : -7.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.96
Log Po/w (XLOGP3) : -0.02
Log Po/w (WLOGP) : -0.9
Log Po/w (MLOGP) : -0.98
Log Po/w (SILICOS-IT) : -1.47
Consensus Log Po/w : -0.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.72
Solubility : 5.19 mg/ml ; 0.0193 mol/l
Class : Very soluble
Log S (Ali) : -2.04
Solubility : 2.48 mg/ml ; 0.00921 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.45
Solubility : 96.6 mg/ml ; 0.359 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.91

Safety of [ 20227-41-2 ]

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