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[ CAS No. 10284-63-6 ] {[proInfo.proName]}

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Chemical Structure| 10284-63-6
Chemical Structure| 10284-63-6
Structure of 10284-63-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 10284-63-6 ]

CAS No. :10284-63-6 MDL No. :MFCD00216659
Formula : C7H14O6 Boiling Point : No data available
Linear Structure Formula :- InChI Key :DSCFFEYYQKSRSV-FEPQRWDDSA-N
M.W : 194.18 Pubchem ID :164619
Synonyms :
Chemical Name :(1R,2S,3R,4S,5S,6S)-6-Methoxycyclohexane-1,2,3,4,5-pentaol

Calculated chemistry of [ 10284-63-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 40.54
TPSA : 110.38 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) : -9.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.55
Log Po/w (XLOGP3) : -3.17
Log Po/w (WLOGP) : -3.18
Log Po/w (MLOGP) : -2.81
Log Po/w (SILICOS-IT) : -2.5
Consensus Log Po/w : -2.22

Druglikeness

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

Water Solubility

Log S (ESOL) : 1.02
Solubility : 2030.0 mg/ml ; 10.5 mol/l
Class : Highly soluble
Log S (Ali) : 1.42
Solubility : 5110.0 mg/ml ; 26.3 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 2.58
Solubility : 73700.0 mg/ml ; 379.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.76

Safety of [ 10284-63-6 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338-P310 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
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