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CAS 5690-46-0 2-AMINO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-1,3-DIONE molecular structure lightbox
CAS RN: 5690-46-0

2-AMINO-2,3-DIHYDRO-1H-BENZO[DE]ISOQUINOLINE-1,3-DIONE

  • Product code: SSC-164939
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5690-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5690-46-0 / 2-aminobenzo[de]isoquinoline-1,3-dione

Standard CAS: 5690-46-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5690-46-0
Multi CAS
Yes
Molecular Formula
C12H8N2O2
Molecular Weight
212.200000
Exact Mass
212.058578
InChI
InChI=1S/C12H8N2O2/c13-14-11(15)8-5-1-3-7-4-2-6-9(10(7)8)12(14)16/h1-6H,13H2
InChIKey
HXJBFRDWVHNPAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.64
TPSA
63.4

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

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

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