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CAS 855477-01-9 3-broMo-8-fluoroquinoline molecular structure lightbox
CAS RN: 855477-01-9

3-broMo-8-fluoroquinoline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250520 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-193986
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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 855477-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

855477-01-9 / 3-bromo-8-fluoroquinoline

Standard CAS: 855477-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
855477-01-9
Multi CAS
No
Molecular Formula
BC9H5NRf
Molecular Weight
226.040000
Exact Mass
224.958940
InChI
InChI=1S/C9H5BrFN/c10-7-4-6-2-1-3-8(11)9(6)12-5-7/h1-5H
InChIKey
LSJWECDASRDXEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
49.4
TPSA
12.89

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
2.9
Consensus LogP
2.93
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

Drug-likeness / Medicinal Chemistry

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

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