CAS RN: 1644466-58-9
2-Bromo-6,9-diphenylcarbazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260412 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1644466-58-9
- Purity/Analytical Methods: >99.0%
1644466-58-9 / 2-bromo-6,9-diphenylcarbazole
Basic Information
CAS
1644466-58-9
Multi CAS
No
Molecular Formula
C24H16BrN
Molecular Weight
398.300000
Exact Mass
397.046610
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=CC(=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C24H16BrN/c25-19-12-13-21-22-15-18(17-7-3-1-4-8-17)11-14-23(22)26(24(21)16-19)20-9-5-2-6-10-20/h1-16H
InChIKey
JMCFQQYVNWNMOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
113.92
TPSA
4.93
LogP / Solubility
WLOGP
7.21
MLOGP
6.37
XLogP3
7.3
Consensus LogP
6.96
Log S (ESOL)
-7.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
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)
-0.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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