CAS RN: 544436-46-6
2,7-Dibromo-9-(2-ethylhexyl)carbazole
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: ICTD4735
- Purity/Analytical Methods: >98.0%(GC)
544436-46-6 / 2,7-dibromo-9-(2-ethylhexyl)carbazole
Basic Information
CAS
544436-46-6
Multi CAS
No
Molecular Formula
C20H23BR2N
Molecular Weight
437.200000
Exact Mass
437.017680
InChI
InChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-11-15(21)7-9-17(19)18-10-8-16(22)12-20(18)23/h7-12,14H,3-6,13H2,1-2H3
InChIKey
OLOMDFPWMJQODN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
13
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
108.15
TPSA
4.93
LogP / Solubility
WLOGP
7.54
MLOGP
6.66
XLogP3
7.8
Consensus LogP
7.33
Log S (ESOL)
-7.32
Class (ESOL)
Insoluble
Log S (Ali)
-8.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.48
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)
-0.04
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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- CAS RN: 544436-47-7
- Product Code: ICTD4661
- Purity/Analytical method: >98.0%(GC)
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