CAS RN: 1427316-53-7
2-Bromo-9-(2-naphthyl)-9H-carbazole
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.20251030 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB5051
- Purity/Analytical Methods: >98.0%(GC)
1427316-53-7 / 2-bromo-9-naphthalen-2-ylcarbazole
Basic Information
CAS
1427316-53-7
Multi CAS
No
Molecular Formula
C22H14BrN
Molecular Weight
372.300000
Exact Mass
371.030960
SMILES
C1=CC=C2C=C(C=CC2=C1)N3C4=CC=CC=C4C5=C3C=C(C=C5)Br
InChI
InChI=1S/C22H14BrN/c23-17-10-12-20-19-7-3-4-8-21(19)24(22(20)14-17)18-11-9-15-5-1-2-6-16(15)13-18/h1-14H
InChIKey
PYHCFFLUGHKAPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
23
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
105.99
TPSA
4.93
LogP / Solubility
WLOGP
6.7
MLOGP
5.92
XLogP3
6.9
Consensus LogP
6.51
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
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)
-0.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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