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CAS 26559-67-1 7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-bromo- molecular structure lightbox
CAS RN: 26559-67-1

7H-Benzimidazo[2,1-a]benz[de]isoquinolin-7-one, 3-bromo-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250514 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26559-67-1
  • Purity/Analytical Methods: >99.0%
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26559-67-1 / 17-bromo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

Standard CAS: 26559-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26559-67-1
Multi CAS
No
Molecular Formula
C18H9BrN2O
Molecular Weight
349.200000
Exact Mass
347.989830
SMILES
C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)Br
InChI
InChI=1S/C18H9BrN2O/c19-13-9-8-11-16-10(13)4-3-5-12(16)18(22)21-15-7-2-1-6-14(15)20-17(11)21/h1-9H
InChIKey
GMHAZZMVKAUVPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
20
H-bond acceptors
3
Molar refractivity
92.87
TPSA
34.37

LogP / Solubility

WLOGP
4.35
MLOGP
3.85
XLogP3
4.7
Consensus LogP
4.3
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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