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CAS 6890-08-0 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONE molecular structure lightbox
CAS RN: 6890-08-0

2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONE

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 1g In stock Inquiry
Batchno.20250528 250mg Out of stock Inquiry
Batchno.20251024 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 100mg In stock Shanghai Inquiry
Batchno.20250730 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250926 1g In stock Shanghai Inquiry
Batchno.20260317 250mg In stock Shanghai Inquiry
Batchno.20250917 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS6890-08-0
  • Purity/Analytical Methods: >99.0%
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6890-08-0 / 2-hydroxy-4H-isoquinoline-1,3-dione

Standard CAS: 6890-08-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6890-08-0
Multi CAS
Yes
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
InChI
InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
InChIKey
ZXAICCBFIBBVAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.11
TPSA
57.61

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

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