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CAS 1357572-67-8 9-bromo-7-phenyl-7H-benzo[c]carbazole molecular structure lightbox
CAS RN: 1357572-67-8

9-bromo-7-phenyl-7H-benzo[c]carbazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251223 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1357572-67-8
  • Purity/Analytical Methods: >99.0%
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1357572-67-8 / 9-bromo-7-phenylbenzo[c]carbazole

Standard CAS: 1357572-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1357572-67-8
Multi CAS
No
Molecular Formula
C22H14BrN
Molecular Weight
372.300000
Exact Mass
371.030960
SMILES
C1=CC=C(C=C1)N2C3=C(C4=C2C=C(C=C4)Br)C5=CC=CC=C5C=C3
InChI
InChI=1S/C22H14BrN/c23-16-11-12-19-21(14-16)24(17-7-2-1-3-8-17)20-13-10-15-6-4-5-9-18(15)22(19)20/h1-14H
InChIKey
SCFYLUFGTCXFSI-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

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