CAS RN: 890653-54-0
3,6-Dibromo-9-(m-tolyl)-9H-carbazole
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: ICTD5424
- Purity/Analytical Methods: >98.0%(N)
890653-54-0 / 3,6-dibromo-9-(3-methylphenyl)carbazole
Basic Information
CAS
890653-54-0
Multi CAS
No
Molecular Formula
C19H13BR2N
Molecular Weight
415.100000
Exact Mass
414.939430
InChI
InChI=1S/C19H13Br2N/c1-12-3-2-4-15(9-12)22-18-7-5-13(20)10-16(18)17-11-14(21)6-8-19(17)22/h2-11H,1H3
InChIKey
VTQPTRCVROSIOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
19
Fraction Csp3
0.05
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
100.92
TPSA
4.93
LogP / Solubility
WLOGP
6.62
MLOGP
5.85
XLogP3
6.7
Consensus LogP
6.39
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.97
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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