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[ CAS No. 131665-94-6 ] Cyclohexane-PEG1-Br

Cat. No.: A628310
Chemical Structure| 131665-94-6
Chemical Structure| 131665-94-6
Structure of 131665-94-6 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $19.00 Inquiry Inquiry
95% 250mg $43.00 Inquiry Inquiry
95% 1g $122.00 Inquiry Inquiry

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Product Details of [ 131665-94-6 ]

CAS No. :131665-94-6 MDL No. :MFCD09815847
Formula : C8H15BrO Boiling Point : No data available
Linear Structure Formula :- InChI Key :RIEJARKPVINFOD-UHFFFAOYSA-N
M.W : 207.11 Pubchem ID :15752645
Synonyms :
Chemical Name :(2-Bromoethoxy)cyclohexane

Calculated chemistry of [ 131665-94-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.41
TPSA : 9.23 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) : -5.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.7
Log Po/w (XLOGP3) : 2.65
Log Po/w (WLOGP) : 2.73
Log Po/w (MLOGP) : 2.3
Log Po/w (SILICOS-IT) : 2.8
Consensus Log Po/w : 2.64

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.6
Solubility : 0.526 mg/ml ; 0.00254 mol/l
Class : Soluble
Log S (Ali) : -2.49
Solubility : 0.663 mg/ml ; 0.0032 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.73
Solubility : 0.39 mg/ml ; 0.00188 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.41

Safety of [ 131665-94-6 ]

Signal Word:Danger Class:9
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:3082
Hazard Statements:H302-H315-H318-H335 Packing Group:
GHS Pictogram:
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