[email protected]
CAS 214045-85-9 1(2H)-Isoquinolinone,6-fluoro-(9CI) molecular structure lightbox
CAS RN: 214045-85-9

1(2H)-Isoquinolinone,6-fluoro-(9CI)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 100mg In stock Shanghai Inquiry
Batchno.20250807 1g In stock Shanghai Inquiry
Batchno.20260523 250mg In stock Shanghai Inquiry
Batchno.20260514 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260603 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-102621
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 214045-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

214045-85-9 / 6-fluoro-2H-isoquinolin-1-one

Standard CAS: 214045-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214045-85-9
Multi CAS
No
Molecular Formula
C9H6FNO
Molecular Weight
163.150000
Exact Mass
163.043342
SMILES
C1=CC2=C(C=CNC2=O)C=C1F
InChI
InChI=1S/C9H6FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
InChIKey
VCCTUCDRIAEXLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.53
TPSA
32.86

LogP / Solubility

WLOGP
1.67
MLOGP
1.46
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.53

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us