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CAS 46492-08-4 BENZ[G]ISOQUINOLINE-5,10-DIONE molecular structure lightbox
CAS RN: 46492-08-4

BENZ[G]ISOQUINOLINE-5,10-DIONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS46492-08-4
  • Purity/Analytical Methods: >99.0%
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46492-08-4 / benzo[g]isoquinoline-5,10-dione

Standard CAS: 46492-08-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
46492-08-4
Multi CAS
Yes
Molecular Formula
C13H7NO2
Molecular Weight
209.200000
Exact Mass
209.047678
InChI
InChI=1S/C13H7NO2/c15-12-8-3-1-2-4-9(8)13(16)11-7-14-6-5-10(11)12/h1-7H
InChIKey
ZLLVUAAESHIVAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
3
Molar refractivity
57.54
TPSA
47.03

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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