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[ CAS No. 19285-83-7 ] {[proInfo.proName]}

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Chemical Structure| 19285-83-7
Chemical Structure| 19285-83-7
Structure of 19285-83-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 19285-83-7 ]

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Product Details of [ 19285-83-7 ]

CAS No. :19285-83-7 MDL No. :MFCD00150703
Formula : C5H11NO5 Boiling Point : -
Linear Structure Formula :- InChI Key :OZDAOHVKBFBBMZ-UHFFFAOYSA-N
M.W : 165.14 Pubchem ID :16219385
Synonyms :

Calculated chemistry of [ 19285-83-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 4
Num. H-bond acceptors : 6.0
Num. H-bond donors : 4.0
Molar Refractivity : 35.45
TPSA : 109.85 ?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) : -10.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.21
Log Po/w (XLOGP3) : -4.16
Log Po/w (WLOGP) : -0.8
Log Po/w (MLOGP) : -3.99
Log Po/w (SILICOS-IT) : -1.19
Consensus Log Po/w : -1.98

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : 2.02
Solubility : 17300.0 mg/ml ; 105.0 mol/l
Class : Highly soluble
Log S (Ali) : 2.46
Solubility : 47500.0 mg/ml ; 288.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.89
Solubility : 1290.0 mg/ml ; 7.83 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.9

Safety of [ 19285-83-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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