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[ CAS No. 955370-01-1 ] 1-Boc-1-ethylhydrazine

Cat. No.: A522586
Chemical Structure| 955370-01-1
Chemical Structure| 955370-01-1
Structure of 955370-01-1 * Storage: Keep in dark place,Sealed in dry,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $46.00 Inquiry Inquiry
95% 250mg $82.00 Inquiry Inquiry
95% 1g $230.00 Inquiry Inquiry
95% 5g $805.00 Inquiry Inquiry
95% 25g $2818.00 Inquiry Inquiry

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Product Details of [ 955370-01-1 ]

CAS No. :955370-01-1 MDL No. :MFCD23378734
Formula : C7H16N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :VVAWWZVWLRCTOT-UHFFFAOYSA-N
M.W : 160.21 Pubchem ID :57517432
Synonyms :

Calculated chemistry of [ 955370-01-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.08
TPSA : 55.56 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.29
Log Po/w (XLOGP3) : 0.73
Log Po/w (WLOGP) : 1.12
Log Po/w (MLOGP) : 1.11
Log Po/w (SILICOS-IT) : -0.71
Consensus Log Po/w : 0.91

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.03
Solubility : 15.0 mg/ml ; 0.0935 mol/l
Class : Very soluble
Log S (Ali) : -1.48
Solubility : 5.36 mg/ml ; 0.0335 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.54
Solubility : 46.4 mg/ml ; 0.29 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.07

Safety of [ 955370-01-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P501-P210-P280-P370+P378-P403+P235 UN#:N/A
Hazard Statements:H302-H227 Packing Group:N/A
GHS Pictogram:
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