Home Cart 0 Sign in  

[ CAS No. 1325208-25-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1325208-25-0
Chemical Structure| 1325208-25-0
Structure of 1325208-25-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1325208-25-0 ]

Related Doc. of [ 1325208-25-0 ]

Alternatived Products of [ 1325208-25-0 ]

Product Details of [ 1325208-25-0 ]

CAS No. :1325208-25-0 MDL No. :MFCD20230464
Formula : C19H26N2O10 Boiling Point : -
Linear Structure Formula :- InChI Key :TUPOSLKVPPFQGR-UHFFFAOYSA-N
M.W : 442.42 Pubchem ID :60146183
Synonyms :
MEL-Tetra-EG-Osu

Calculated chemistry of [ 1325208-25-0 ]

Physicochemical Properties

Num. heavy atoms : 31
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.63
Num. rotatable bonds : 17
Num. H-bond acceptors : 10.0
Num. H-bond donors : 0.0
Molar Refractivity : 108.79
TPSA : 137.98 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -10.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.46
Log Po/w (XLOGP3) : -2.17
Log Po/w (WLOGP) : -1.79
Log Po/w (MLOGP) : -1.54
Log Po/w (SILICOS-IT) : 0.91
Consensus Log Po/w : -0.22

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.09
Solubility : 356.0 mg/ml ; 0.806 mol/l
Class : Very soluble
Log S (Ali) : -0.2
Solubility : 281.0 mg/ml ; 0.635 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.44
Solubility : 1.6 mg/ml ; 0.00362 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.97

Safety of [ 1325208-25-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records