Home Cart 0 Sign in  

[ CAS No. 4857-44-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4857-44-7
Chemical Structure| 4857-44-7
Structure of 4857-44-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 4857-44-7 ]

Related Doc. of [ 4857-44-7 ]

Alternatived Products of [ 4857-44-7 ]

Product Details of [ 4857-44-7 ]

CAS No. :4857-44-7 MDL No. :MFCD00042725
Formula : C10H18CaO6S2 Boiling Point : -
Linear Structure Formula :- InChI Key :ABRVDWASZFDIEH-UHFFFAOYSA-L
M.W : 338.45 Pubchem ID :107344
Synonyms :

Calculated chemistry of [ 4857-44-7 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 8
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 69.46
TPSA : 171.32 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) : -8.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : -40.52
Log Po/w (XLOGP3) : 0.36
Log Po/w (WLOGP) : -2.3
Log Po/w (MLOGP) : -0.09
Log Po/w (SILICOS-IT) : 0.09
Consensus Log Po/w : -8.49

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.64
Solubility : 7.8 mg/ml ; 0.0231 mol/l
Class : Very soluble
Log S (Ali) : -3.52
Solubility : 0.102 mg/ml ; 0.0003 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.02
Solubility : 326.0 mg/ml ; 0.964 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.65

Safety of [ 4857-44-7 ]

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