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[ CAS No. 145122-56-1 ] 4,7-Diazaspiro[2.5]octane dihydrochloride

Cat. No.: A164210
Chemical Structure| 145122-56-1
Chemical Structure| 145122-56-1
Structure of 145122-56-1 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $69.00 Inquiry Inquiry
97% 250mg $84.00 Inquiry Inquiry
97% 1g $194.00 Inquiry Inquiry
97% 5g $591.00 Inquiry Inquiry

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* Storage: Inert atmosphere,Room Temperature

* Shipping: Normal

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Product Details of [ 145122-56-1 ]

CAS No. :145122-56-1 MDL No. :MFCD11506235
Formula : C6H14Cl2N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :MWCKCAQLDIGIMK-UHFFFAOYSA-N
M.W : 185.09 Pubchem ID :56973368
Synonyms :

Calculated chemistry of [ 145122-56-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 54.13
TPSA : 24.06 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) : -6.63 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.12
Log Po/w (WLOGP) : 0.49
Log Po/w (MLOGP) : 0.9
Log Po/w (SILICOS-IT) : 1.28
Consensus Log Po/w : 0.76

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.69
Solubility : 3.75 mg/ml ; 0.0203 mol/l
Class : Very soluble
Log S (Ali) : -1.22
Solubility : 11.2 mg/ml ; 0.0604 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.57
Solubility : 4.96 mg/ml ; 0.0268 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.72

Safety of [ 145122-56-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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