Home Cart 0 Sign in  
X

[ CAS No. 1698597-40-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1698597-40-8
Chemical Structure| 1698597-40-8
Chemical Structure| 1698597-40-8
Structure of 1698597-40-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1698597-40-8 ]

Related Doc. of [ 1698597-40-8 ]

Alternatived Products of [ 1698597-40-8 ]
Product Citations

Product Details of [ 1698597-40-8 ]

CAS No. :1698597-40-8 MDL No. :MFCD26410636
Formula : C11H24N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :HVTURBAKRQAZQY-UHFFFAOYSA-N
M.W : 248.32 Pubchem ID :112688903
Synonyms :

Calculated chemistry of [ 1698597-40-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.91
Num. rotatable bonds : 11
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 64.55
TPSA : 79.82 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) : -8.05 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.8
Log Po/w (XLOGP3) : -0.33
Log Po/w (WLOGP) : 0.11
Log Po/w (MLOGP) : -0.1
Log Po/w (SILICOS-IT) : 0.53
Consensus Log Po/w : 0.6

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.45
Solubility : 89.0 mg/ml ; 0.358 mol/l
Class : Very soluble
Log S (Ali) : -0.88
Solubility : 32.4 mg/ml ; 0.13 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.48
Solubility : 0.817 mg/ml ; 0.00329 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.74

Safety of [ 1698597-40-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records