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[ CAS No. 7255-28-9 ] {[proInfo.proName]}

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Chemical Structure| 7255-28-9
Chemical Structure| 7255-28-9
Structure of 7255-28-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 7255-28-9 ]

CAS No. :7255-28-9 MDL No. :MFCD00149074
Formula : C6H16O14 Boiling Point : -
Linear Structure Formula :- InChI Key :MQIMWEBORAIJPP-UHFFFAOYSA-N
M.W : 312.18 Pubchem ID :2723849
Synonyms :

Calculated chemistry of [ 7255-28-9 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 14.0
Num. H-bond donors : 8.0
Molar Refractivity : 54.42
TPSA : 176.26 Ų

Pharmacokinetics

GI absorption : Low
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) : -11.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : -3.35
Log Po/w (XLOGP3) : -4.5
Log Po/w (WLOGP) : -3.1
Log Po/w (MLOGP) : -9.91
Log Po/w (SILICOS-IT) : 0.58
Consensus Log Po/w : -4.06

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : 1.06
Solubility : 3580.0 mg/ml ; 11.5 mol/l
Class : Highly soluble
Log S (Ali) : 1.42
Solubility : 8150.0 mg/ml ; 26.1 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.87
Solubility : 41.8 mg/ml ; 0.134 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.1

Safety of [ 7255-28-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280 UN#:N/A
Hazard Statements:H312-H332 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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