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[ CAS No. 118599-27-2 ] 9-Benzyl-3,6-dibromocarbazole

Cat. No.: A248070
Chemical Structure| 118599-27-2
Chemical Structure| 118599-27-2
Structure of 118599-27-2 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 250mg $6.00 Inquiry Inquiry
97% 1g $14.00 Inquiry Inquiry
97% 5g $61.00 Inquiry Inquiry
97% 25g $146.00 Inquiry Inquiry
97% 100g $482.00 Inquiry Inquiry

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* Storage: Sealed in dry,Room Temperature

* Shipping: Normal

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Product Details of [ 118599-27-2 ]

CAS No. :118599-27-2 MDL No. :MFCD00218292
Formula : C19H13Br2N Boiling Point : No data available
Linear Structure Formula :- InChI Key :QVFWRFBJSIUPAD-UHFFFAOYSA-N
M.W : 415.12 Pubchem ID :2802035
Synonyms :

Calculated chemistry of [ 118599-27-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 19
Fraction Csp3 : 0.05
Num. rotatable bonds : 2
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 100.59
TPSA : 4.93 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.64
Log Po/w (XLOGP3) : 6.32
Log Po/w (WLOGP) : 6.37
Log Po/w (MLOGP) : 5.56
Log Po/w (SILICOS-IT) : 5.75
Consensus Log Po/w : 5.53

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.9
Solubility : 0.000052 mg/ml ; 0.000000125 mol/l
Class : Poorly soluble
Log S (Ali) : -6.21
Solubility : 0.000254 mg/ml ; 0.000000612 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -8.67
Solubility : 0.000000892 mg/ml ; 0.0000000021 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.75

Safety of [ 118599-27-2 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:
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