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[ CAS No. 1609267-04-0 ] 3-Bromo-n-(2-biphenylyl)carbazole

Cat. No.: A990134
Chemical Structure| 1609267-04-0
Chemical Structure| 1609267-04-0
Structure of 1609267-04-0 * Storage: Sealed in dry,Room Temperature

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* Storage: Sealed in dry,Room Temperature

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Product Details of [ 1609267-04-0 ]

CAS No. :1609267-04-0 MDL No. :MFCD30536717
Formula : C24H16BrN Boiling Point : -
Linear Structure Formula :- InChI Key :JDGDLKDQACLMQC-UHFFFAOYSA-N
M.W : 398.29 Pubchem ID :123133638
Synonyms :

Calculated chemistry of [ 1609267-04-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 25
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 113.92
TPSA : 4.93 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.81
Log Po/w (XLOGP3) : 7.31
Log Po/w (WLOGP) : 7.21
Log Po/w (MLOGP) : 6.09
Log Po/w (SILICOS-IT) : 6.26
Consensus Log Po/w : 6.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -7.49
Solubility : 0.0000128 mg/ml ; 0.000000032 mol/l
Class : Poorly soluble
Log S (Ali) : -7.24
Solubility : 0.0000229 mg/ml ; 0.0000000575 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.94
Solubility : 0.0000000455 mg/ml ; 0.0000000001 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.35

Safety of [ 1609267-04-0 ]

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