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[ CAS No. 122833-58-3 ] N,N'-((1R,2R)-cyclohexane-1,2-diyl)dimethanesulfonamide

Cat. No.: A275393
Chemical Structure| 122833-58-3
Chemical Structure| 122833-58-3
Structure of 122833-58-3 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $40.00 Inquiry Inquiry
97% 250mg $48.00 Inquiry Inquiry
97% 1g $179.00 Inquiry Inquiry

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Product Details of [ 122833-58-3 ]

CAS No. :122833-58-3 MDL No. :MFCD03411210
Formula : C8H18N2O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :JUWLQVLCYRNWSV-HTQZYQBOSA-N
M.W : 270.37 Pubchem ID :11043842
Synonyms :

Calculated chemistry of [ 122833-58-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 61.99
TPSA : 109.1 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) : -8.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.61
Log Po/w (XLOGP3) : -0.23
Log Po/w (WLOGP) : 1.56
Log Po/w (MLOGP) : -1.29
Log Po/w (SILICOS-IT) : -1.34
Consensus Log Po/w : -0.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.11
Solubility : 21.1 mg/ml ; 0.0781 mol/l
Class : Very soluble
Log S (Ali) : -1.6
Solubility : 6.73 mg/ml ; 0.0249 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.81
Solubility : 4.14 mg/ml ; 0.0153 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.46

Safety of [ 122833-58-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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