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[ CAS No. 2062663-65-2 ] {[proInfo.proName]}

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Chemical Structure| 2062663-65-2
Chemical Structure| 2062663-65-2
Structure of 2062663-65-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2062663-65-2 ]

CAS No. :2062663-65-2 MDL No. :MFCD30536148
Formula : C13H28N2O6 Boiling Point : -
Linear Structure Formula :- InChI Key :SYWWKJDBLNWPRA-UHFFFAOYSA-N
M.W : 308.37 Pubchem ID :126480484
Synonyms :
AMinooxy-peg3-nh-boc

Calculated chemistry of [ 2062663-65-2 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.92
Num. rotatable bonds : 15
Num. H-bond acceptors : 7.0
Num. H-bond donors : 2.0
Molar Refractivity : 76.17
TPSA : 101.27 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) : -8.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.5
Log Po/w (XLOGP3) : -0.41
Log Po/w (WLOGP) : 0.45
Log Po/w (MLOGP) : -0.32
Log Po/w (SILICOS-IT) : 0.64
Consensus Log Po/w : 0.77

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.5
Solubility : 96.7 mg/ml ; 0.314 mol/l
Class : Very soluble
Log S (Ali) : -1.25
Solubility : 17.2 mg/ml ; 0.0559 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.66
Solubility : 0.678 mg/ml ; 0.0022 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.54

Safety of [ 2062663-65-2 ]

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:
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