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CAS 216097-69-7 8-aMinoisoquinolin-1-ol molecular structure lightbox
CAS RN: 216097-69-7

8-aMinoisoquinolin-1-ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-103558
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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 216097-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

216097-69-7 / 8-amino-2H-isoquinolin-1-one

Standard CAS: 216097-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216097-69-7
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
C1=CC2=C(C(=C1)N)C(=O)NC=C2
InChI
InChI=1S/C9H8N2O/c10-7-3-1-2-6-4-5-11-9(12)8(6)7/h1-5H,10H2,(H,11,12)
InChIKey
UXMPRYSFGIABNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.98
TPSA
58.88

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.2
Consensus LogP
1.09
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.91

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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