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Inhibitors/Agonists
Endocrinology/Hormones
TPO
4”-O-Glucosylvitexin
Inhibitors/Agonists
Endocrinology/Hormones
TPO

[ CAS No. 76135-82-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 76135-82-5
Chemical Structure| 76135-82-5
Structure of 76135-82-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 76135-82-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 76135-82-5 ]

SDS Specification
Alternatived Products of [ 76135-82-5 ]

Product Details of [ 76135-82-5 ]

CAS No. :76135-82-5 MDL No. :N/A
Formula : C27H30O16 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 610.52 Pubchem ID :-
Synonyms :
Glucosylvitexin
Chemical Name :8-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Calculated chemistry of [ 76135-82-5 ]

Physicochemical Properties

Num. heavy atoms : 43
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.44
Num. rotatable bonds : 7
Num. H-bond acceptors : 16.0
Num. H-bond donors : 10.0
Molar Refractivity : 140.52
TPSA : 269.43 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) : -10.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.15
Log Po/w (XLOGP3) : -1.09
Log Po/w (WLOGP) : -2.42
Log Po/w (MLOGP) : -4.16
Log Po/w (SILICOS-IT) : -2.24
Consensus Log Po/w : -1.75

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -2.75
Solubility : 1.08 mg/ml ; 0.00177 mol/l
Class : Soluble
Log S (Ali) : -4.08
Solubility : 0.051 mg/ml ; 0.0000835 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -0.31
Solubility : 302.0 mg/ml ; 0.494 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 6.44

Safety of [ 76135-82-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Tags: 76135-82-5 synthesis path| 76135-82-5 SDS| 76135-82-5 COA| 76135-82-5 purity| 76135-82-5 application| 76135-82-5 NMR| 76135-82-5 COA| 76135-82-5 structure

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