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CAS 1616607-88-5 2-(2-Bromophenyl)-9-phenyl-9H-carbazole molecular structure lightbox
CAS RN: 1616607-88-5

2-(2-Bromophenyl)-9-phenyl-9H-carbazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 200mg / 1g Out of stock 30 business days Inquiry
  • Product code: ICTB5437
  • Purity/Analytical Methods: >98.0%(GC)
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1616607-88-5 / 2-(2-bromophenyl)-9-phenylcarbazole

Standard CAS: 1616607-88-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1616607-88-5
Multi CAS
No
Molecular Formula
C24H16BrN
Molecular Weight
398.300000
Exact Mass
397.046610
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=CC=C5Br
InChI
InChI=1S/C24H16BrN/c25-22-12-6-4-10-19(22)17-14-15-21-20-11-5-7-13-23(20)26(24(21)16-17)18-8-2-1-3-9-18/h1-16H
InChIKey
DUNRZHFGIQTWFF-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

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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