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[ CAS No. 202842-98-6 ] {[proInfo.proName]}

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Chemical Structure| 202842-98-6
Chemical Structure| 202842-98-6
Structure of 202842-98-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 202842-98-6 ]

CAS No. :202842-98-6 MDL No. :MFCD09842544
Formula : C5H11N2O4P Boiling Point : -
Linear Structure Formula :- InChI Key :LXKCHCXZBPLTAE-UHFFFAOYSA-N
M.W : 194.13 Pubchem ID :11446863
Synonyms :

Calculated chemistry of [ 202842-98-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.4
Num. rotatable bonds : 0
Num. H-bond acceptors : 5.0
Num. H-bond donors : 4.0
Molar Refractivity : 42.78
TPSA : 116.25 ?2

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) : -8.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.75
Log Po/w (XLOGP3) : -1.11
Log Po/w (WLOGP) : 0.1
Log Po/w (MLOGP) : -1.5
Log Po/w (SILICOS-IT) : 1.87
Consensus Log Po/w : -0.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.65
Solubility : 43.2 mg/ml ; 0.223 mol/l
Class : Very soluble
Log S (Ali) : -0.84
Solubility : 28.0 mg/ml ; 0.144 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.92
Solubility : 2.32 mg/ml ; 0.0119 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.02

Safety of [ 202842-98-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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