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[ CAS No. 34625-23-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 34625-23-5
Chemical Structure| 34625-23-5
Structure of 34625-23-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 34625-23-5 ]

CAS No. :34625-23-5 MDL No. :MFCD09838462
Formula : C8H16O6 Boiling Point : -
Linear Structure Formula :- InChI Key :WYUFTYLVLQZQNH-KEWYIRBNSA-N
M.W : 208.21 Pubchem ID :11127487
Synonyms :

Calculated chemistry of [ 34625-23-5 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 4.0
Molar Refractivity : 45.27
TPSA : 99.38 Ų

Pharmacokinetics

GI absorption : High
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) : -9.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.36
Log Po/w (XLOGP3) : -2.28
Log Po/w (WLOGP) : -2.18
Log Po/w (MLOGP) : -2.07
Log Po/w (SILICOS-IT) : -1.52
Consensus Log Po/w : -1.34

Druglikeness

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

Water Solubility

Log S (ESOL) : 0.5
Solubility : 664.0 mg/ml ; 3.19 mol/l
Class : Highly soluble
Log S (Ali) : 0.73
Solubility : 1110.0 mg/ml ; 5.34 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.5
Solubility : 6580.0 mg/ml ; 31.6 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.41

Safety of [ 34625-23-5 ]

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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