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CAS 214045-86-0 1-CHLORO-6-FLUOROISOQUINOLINE molecular structure lightbox
CAS RN: 214045-86-0

1-CHLORO-6-FLUOROISOQUINOLINE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250909 100mg Out of stock 5-7 business days Inquiry
Batchno.20251008 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260428 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250815 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250209 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-102622
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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: ＞97%
  • 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 214045-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

214045-86-0 / 1-chloro-6-fluoroisoquinoline

Standard CAS: 214045-86-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214045-86-0
Multi CAS
No
Molecular Formula
C9H5ClFN
Molecular Weight
181.590000
Exact Mass
181.009455
SMILES
C1=CC2=C(C=CN=C2Cl)C=C1F
InChI
InChI=1S/C9H5ClFN/c10-9-8-2-1-7(11)5-6(8)3-4-12-9/h1-5H
InChIKey
QZBWBBHQRLUOTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
46.71
TPSA
12.89

LogP / Solubility

WLOGP
3.03
MLOGP
2.66
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-1.68

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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