CAS RN: 1656983-56-0
2-bromo-7-phenylcarbazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1656983-56-0
- Purity/Analytical Methods: >99.0%
1656983-56-0 / 2-bromo-7-phenyl-9H-carbazole
Basic Information
CAS
1656983-56-0
Multi CAS
No
Molecular Formula
C18H12BrN
Molecular Weight
322.200000
Exact Mass
321.015310
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(N3)C=C(C=C4)Br
InChI
InChI=1S/C18H12BrN/c19-14-7-9-16-15-8-6-13(12-4-2-1-3-5-12)10-17(15)20-18(16)11-14/h1-11,20H
InChIKey
VRKACZDZEZKNMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond donors
1
Molar refractivity
88.94
TPSA
15.79
LogP / Solubility
WLOGP
5.75
MLOGP
5.08
XLogP3
5.7
Consensus LogP
5.51
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
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
No
Log Kp (skin permeation)
-0.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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