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[ CAS No. 84656-75-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 84656-75-7
Chemical Structure| 84656-75-7
Structure of 84656-75-7 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 84656-75-7 ]

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Product Details of [ 84656-75-7 ]

CAS No. :84656-75-7 MDL No. :MFCD13182311
Formula : C22H34 Boiling Point : -
Linear Structure Formula :- InChI Key :SDESCXGEQILYTQ-UHFFFAOYSA-N
M.W : 298.51 Pubchem ID :576378
Synonyms :

Calculated chemistry of [ 84656-75-7 ]

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.73
Num. rotatable bonds : 4
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 99.44
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -2.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.51
Log Po/w (XLOGP3) : 8.61
Log Po/w (WLOGP) : 6.88
Log Po/w (MLOGP) : 7.08
Log Po/w (SILICOS-IT) : 6.25
Consensus Log Po/w : 6.66

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -7.05
Solubility : 0.0000264 mg/ml ; 0.0000000885 mol/l
Class : Poorly soluble
Log S (Ali) : -8.49
Solubility : 0.000000975 mg/ml ; 0.0000000033 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.38
Solubility : 0.000124 mg/ml ; 0.000000415 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.32

Safety of [ 84656-75-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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