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[ CAS No. 82494-09-5 ] {[proInfo.proName]}

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Chemical Structure| 82494-09-5
Chemical Structure| 82494-09-5
Structure of 82494-09-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 82494-09-5 ]

CAS No. :82494-09-5 MDL No. :MFCD00061624
Formula : C22H42O11 Boiling Point : -
Linear Structure Formula :- InChI Key :WOQQAWHSKSSAGF-WXFJLFHKSA-N
M.W : 482.56 Pubchem ID :5288728
Synonyms :
n-Decyl-β-D-maltoside;Decyl β-D-maltopyranoside;Decylmaltoside;Decyl-β-maltoside;Decyl-β-maltopyranoside;n-Decyl-β-D-maltopyranoside
Chemical Name :Decyl 4-O-a-D-glucopyranosyl-b-D-glucopyranoside

Calculated chemistry of [ 82494-09-5 ]

Physicochemical Properties

Num. heavy atoms : 33
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 14
Num. H-bond acceptors : 11.0
Num. H-bond donors : 7.0
Molar Refractivity : 116.11
TPSA : 178.53 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) : -8.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.82
Log Po/w (XLOGP3) : 0.4
Log Po/w (WLOGP) : -1.23
Log Po/w (MLOGP) : -1.94
Log Po/w (SILICOS-IT) : -0.32
Consensus Log Po/w : 0.15

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 2.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -2.16
Solubility : 3.34 mg/ml ; 0.00692 mol/l
Class : Soluble
Log S (Ali) : -3.72
Solubility : 0.0929 mg/ml ; 0.000193 mol/l
Class : Soluble
Log S (SILICOS-IT) : 0.03
Solubility : 517.0 mg/ml ; 1.07 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.57

Safety of [ 82494-09-5 ]

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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