Alternatived Products of [ 60134-26-1 ]
Product Details of [ 60134-26-1 ]
CAS No. : | 60134-26-1 |
MDL No. : | MFCD00134161 |
Formula : |
C6H12O4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | NVGJZDFWPSOTHM-YRZWDFBDSA-N |
M.W : |
148.16
|
Pubchem ID : | 10154128 |
Synonyms : |
|
Calculated chemistry of [ 60134-26-1 ]
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
33.34 |
TPSA : |
58.92 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) : |
-7.53 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.21 |
Log Po/w (XLOGP3) : |
-0.46 |
Log Po/w (WLOGP) : |
-0.9 |
Log Po/w (MLOGP) : |
-1.11 |
Log Po/w (SILICOS-IT) : |
-0.37 |
Consensus Log Po/w : |
-0.32 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.34 |
Solubility : |
68.2 mg/ml ; 0.46 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.31 |
Solubility : |
72.4 mg/ml ; 0.488 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
0.6 |
Solubility : |
590.0 mg/ml ; 3.98 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.63 |
Safety of [ 60134-26-1 ]
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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