Home Cart 0 Sign in  

[ CAS No. 50615-66-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 50615-66-2
Chemical Structure| 50615-66-2
Structure of 50615-66-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 50615-66-2 ]

Related Doc. of [ 50615-66-2 ]

Alternatived Products of [ 50615-66-2 ]

Product Details of [ 50615-66-2 ]

CAS No. :50615-66-2 MDL No. :MFCD01076185
Formula : C14H20O9S Boiling Point : -
Linear Structure Formula :- InChI Key :SFOZKJGZNOBSHF-HTOAHKCRSA-N
M.W : 364.37 Pubchem ID :11100577
Synonyms :

Calculated chemistry of [ 50615-66-2 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 9
Num. H-bond acceptors : 9.0
Num. H-bond donors : 0.0
Molar Refractivity : 81.45
TPSA : 153.23 Ų

Pharmacokinetics

GI absorption : Low
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) : -7.79 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.65
Log Po/w (XLOGP3) : 1.03
Log Po/w (WLOGP) : 0.0
Log Po/w (MLOGP) : -0.3
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : 0.73

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.15
Solubility : 2.56 mg/ml ; 0.00701 mol/l
Class : Soluble
Log S (Ali) : -3.84
Solubility : 0.0529 mg/ml ; 0.000145 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.63
Solubility : 85.8 mg/ml ; 0.236 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.83

Safety of [ 50615-66-2 ]

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