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CAS 214045-84-8 6-FLUORO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE molecular structure lightbox
CAS RN: 214045-84-8

6-FLUORO-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260326 100mg In stock Inquiry
Batchno.20260320 1g In stock Inquiry
Batchno.20250121 250mg In stock Inquiry
Batchno.20260327 5g In stock Inquiry
  • Product code: SSC-102620
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 214045-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

214045-84-8 / 6-fluoro-3,4-dihydro-2H-isoquinolin-1-one

Standard CAS: 214045-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214045-84-8
Multi CAS
No
Molecular Formula
C9H8FNO
Molecular Weight
165.160000
Exact Mass
165.058992
SMILES
C1CNC(=O)C2=C1C=C(C=C2)F
InChI
InChI=1S/C9H8FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)
InChIKey
QAYARJVVFMRVQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.44
TPSA
29.1

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.3
Consensus LogP
1.13
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-2.94

Drug-likeness / Medicinal Chemistry

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

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