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CAS 791626-57-8 6-FLUOROQUINOLIN-2-AMINE molecular structure lightbox
CAS RN: 791626-57-8

6-FLUOROQUINOLIN-2-AMINE

  • Product code: SSC-188395
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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 791626-57-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

791626-57-8 / 6-fluoroquinolin-2-amine

Standard CAS: 791626-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
791626-57-8
Multi CAS
Yes
Molecular Formula
C9FH7N2
Molecular Weight
162.160000
Exact Mass
162.059326
InChI
InChI=1S/C9H7FN2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
DSROYDXRWJWKRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.11
TPSA
38.91

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.32

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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