Alternatived Products of [ 84380-01-8 ]
Product Details of [ 84380-01-8 ]
CAS No. : | 84380-01-8 |
MDL No. : | MFCD09838262 |
Formula : |
C12H16O7
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | BJRNKVDFDLYUGJ-ZIQFBCGOSA-N |
M.W : |
272.25
|
Pubchem ID : | 158637 |
Synonyms : |
4-Hydroxyphenyl α-D-glucopyranoside;α-Arbutin;4-Hydroxyphenyl α-Glucopyranoside;4'-Hydroxyphenyl α-Glucoside;Hydroquinone O-α-D-Glucopyranoside;Hydroquinone α-Glucoside;4-hydroxyphenyl-D-lucopyranoside;alpha-Arbutoside
|
Calculated chemistry of [ 84380-01-8 ]
Physicochemical Properties
Num. heavy atoms : |
19 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
62.61 |
TPSA : |
119.61 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) : |
-8.92 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.57 |
Log Po/w (XLOGP3) : |
-1.35 |
Log Po/w (WLOGP) : |
-1.43 |
Log Po/w (MLOGP) : |
-1.49 |
Log Po/w (SILICOS-IT) : |
-1.22 |
Consensus Log Po/w : |
-0.78 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.71 |
Solubility : |
52.7 mg/ml ; 0.194 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.66 |
Solubility : |
59.3 mg/ml ; 0.218 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
0.36 |
Solubility : |
618.0 mg/ml ; 2.27 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
4.18 |