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[ CAS No. 14937-45-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14937-45-2
Chemical Structure| 14937-45-2
Structure of 14937-45-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 14937-45-2 ]

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Product Details of [ 14937-45-2 ]

CAS No. :14937-45-2 MDL No. :MFCD00011775
Formula : C28H60BrP Boiling Point : No data available
Linear Structure Formula :- InChI Key :RYVBINGWVJJDPU-UHFFFAOYSA-M
M.W : 507.65 Pubchem ID :84716
Synonyms :

Calculated chemistry of [ 14937-45-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 24
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 154.67
TPSA : 13.59 ?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) : -0.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.76
Log Po/w (XLOGP3) : 12.42
Log Po/w (WLOGP) : 7.89
Log Po/w (MLOGP) : 8.44
Log Po/w (SILICOS-IT) : 10.96
Consensus Log Po/w : 8.49

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -9.23
Solubility : 0.0000003 mg/ml ; 0.0000000006 mol/l
Class : Poorly soluble
Log S (Ali) : -12.72
Solubility : 0.0000000001 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -11.15
Solubility : 0.0000000036 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.81

Safety of [ 14937-45-2 ]

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