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[ CAS No. 1620510-51-1 ] {[proInfo.proName]}

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 1620510-51-1
Chemical Structure| 1620510-51-1
Chemical Structure| 1620510-51-1
Structure of 1620510-51-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1620510-51-1 ]

CAS No. :1620510-51-1 MDL No. :MFCD26792468
Formula : C6H13NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :WXGKNIRSXCAEEP-ZCFIWIBFSA-N
M.W : 131.17 Pubchem ID :58666449
Synonyms :

Calculated chemistry of [ 1620510-51-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.9
TPSA : 32.7 Ų

Pharmacokinetics

GI absorption : Low
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) : -7.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.63
Log Po/w (XLOGP3) : -0.73
Log Po/w (WLOGP) : -1.07
Log Po/w (MLOGP) : -0.67
Log Po/w (SILICOS-IT) : 0.23
Consensus Log Po/w : -0.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.13
Solubility : 97.8 mg/ml ; 0.746 mol/l
Class : Very soluble
Log S (Ali) : 0.52
Solubility : 434.0 mg/ml ; 3.31 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.02
Solubility : 126.0 mg/ml ; 0.964 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.23

Safety of [ 1620510-51-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:2735
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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