Home Cart 0 Sign in  

[ CAS No. 5574-97-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 5574-97-0
Chemical Structure| 5574-97-0
Structure of 5574-97-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 5574-97-0 ]

Related Doc. of [ 5574-97-0 ]

Alternatived Products of [ 5574-97-0 ]

Product Details of [ 5574-97-0 ]

CAS No. :5574-97-0 MDL No. :MFCD00064526
Formula : C16H38NO4P Boiling Point : -
Linear Structure Formula :- InChI Key :ARRNBPCNZJXHRJ-UHFFFAOYSA-M
M.W : 339.45 Pubchem ID :2735142
Synonyms :

Calculated chemistry of [ 5574-97-0 ]

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 12
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 94.13
TPSA : 90.4 Ų

Pharmacokinetics

GI absorption : High
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) : -9.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : -4.52
Log Po/w (XLOGP3) : -1.44
Log Po/w (WLOGP) : 4.51
Log Po/w (MLOGP) : -1.24
Log Po/w (SILICOS-IT) : 4.71
Consensus Log Po/w : 0.41

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.25
Solubility : 193.0 mg/ml ; 0.568 mol/l
Class : Very soluble
Log S (Ali) : 0.04
Solubility : 376.0 mg/ml ; 1.11 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -6.35
Solubility : 0.000152 mg/ml ; 0.000000449 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.99

Safety of [ 5574-97-0 ]

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