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[ CAS No. 93302-26-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 93302-26-2
Chemical Structure| 93302-26-2
Structure of 93302-26-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 93302-26-2 ]

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Product Details of [ 93302-26-2 ]

CAS No. :93302-26-2 MDL No. :MFCD08692046
Formula : C7H14O6 Boiling Point : -
Linear Structure Formula :- InChI Key :HOVAGTYPODGVJG-TVPFVARWSA-N
M.W : 194.18 Pubchem ID :11788789
Synonyms :

Calculated chemistry of [ 93302-26-2 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 4.0
Molar Refractivity : 40.47
TPSA : 99.38 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.84
Log Po/w (XLOGP3) : -2.65
Log Po/w (WLOGP) : -2.57
Log Po/w (MLOGP) : -2.4
Log Po/w (SILICOS-IT) : -1.85
Consensus Log Po/w : -1.73

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.76
Solubility : 1110.0 mg/ml ; 5.72 mol/l
Class : Highly soluble
Log S (Ali) : 1.11
Solubility : 2510.0 mg/ml ; 12.9 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.91
Solubility : 15700.0 mg/ml ; 80.7 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.3

Safety of [ 93302-26-2 ]

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