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[ CAS No. 14937-42-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14937-42-9
Chemical Structure| 14937-42-9
Structure of 14937-42-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 14937-42-9 ]

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Product Details of [ 14937-42-9 ]

CAS No. :14937-42-9 MDL No. :MFCD00043166
Formula : C40H84BrN Boiling Point : No data available
Linear Structure Formula :- InChI Key :AHNISXOXSNAHBZ-UHFFFAOYSA-M
M.W : 659.01 Pubchem ID :3014876
Synonyms :

Calculated chemistry of [ 14937-42-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 42
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 36
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 205.7
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
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) : 3.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.02
Log Po/w (XLOGP3) : 19.25
Log Po/w (WLOGP) : 11.37
Log Po/w (MLOGP) : 5.84
Log Po/w (SILICOS-IT) : 15.32
Consensus Log Po/w : 10.96

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -13.68
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -19.53
Solubility : 1.96e-17 mg/ml ; 2.97e-20 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -15.78
Solubility : 0.0 mg/ml ; 1.66e-16 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.24

Safety of [ 14937-42-9 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
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