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[ CAS No. 60134-26-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 60134-26-1
Chemical Structure| 60134-26-1
Chemical Structure| 60134-26-1
Structure of 60134-26-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 60134-26-1 ]

CAS No. :60134-26-1 MDL No. :MFCD00134161
Formula : C6H12O4 Boiling Point : -
Linear Structure Formula :- InChI Key :NVGJZDFWPSOTHM-YRZWDFBDSA-N
M.W : 148.16 Pubchem ID :10154128
Synonyms :

Calculated chemistry of [ 60134-26-1 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.34
TPSA : 58.92 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) : -7.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.21
Log Po/w (XLOGP3) : -0.46
Log Po/w (WLOGP) : -0.9
Log Po/w (MLOGP) : -1.11
Log Po/w (SILICOS-IT) : -0.37
Consensus Log Po/w : -0.32

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.34
Solubility : 68.2 mg/ml ; 0.46 mol/l
Class : Very soluble
Log S (Ali) : -0.31
Solubility : 72.4 mg/ml ; 0.488 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.6
Solubility : 590.0 mg/ml ; 3.98 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.63

Safety of [ 60134-26-1 ]

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