Home Cart 0 Sign in  

[ CAS No. 61371-55-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 61371-55-9
Chemical Structure| 61371-55-9
Structure of 61371-55-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 61371-55-9 ]

Related Doc. of [ 61371-55-9 ]

Alternatived Products of [ 61371-55-9 ]

Product Details of [ 61371-55-9 ]

CAS No. :61371-55-9 MDL No. :MFCD20527291
Formula : C8H8O4 Boiling Point : -
Linear Structure Formula :- InChI Key :VXWUBYBAUIHOHG-DTLFHODZSA-N
M.W : 168.15 Pubchem ID :100341
Synonyms :

Calculated chemistry of [ 61371-55-9 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.38
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 39.0
TPSA : 66.76 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) : -8.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.98
Log Po/w (XLOGP3) : -1.1
Log Po/w (WLOGP) : -0.87
Log Po/w (MLOGP) : -0.37
Log Po/w (SILICOS-IT) : -0.38
Consensus Log Po/w : -0.35

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.19
Solubility : 109.0 mg/ml ; 0.646 mol/l
Class : Very soluble
Log S (Ali) : 0.19
Solubility : 259.0 mg/ml ; 1.54 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.84
Solubility : 1160.0 mg/ml ; 6.89 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.94

Safety of [ 61371-55-9 ]

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:
Same Skeleton Products
Historical Records