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CAS 1416439-07-0 4-FLUOROQUINOLIN-8-AMINE molecular structure lightbox
CAS RN: 1416439-07-0

4-FLUOROQUINOLIN-8-AMINE

  • Product code: SSC-052116
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1416439-07-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1416439-07-0 / 4-fluoroquinolin-8-amine

Standard CAS: 1416439-07-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416439-07-0
Multi CAS
No
Molecular Formula
C9H7FN2
Molecular Weight
162.160000
Exact Mass
162.059326
SMILES
C1=CC2=C(C=CN=C2C(=C1)N)F
InChI
InChI=1S/C9H7FN2/c10-7-4-5-12-9-6(7)2-1-3-8(9)11/h1-5H,11H2
InChIKey
GRRZTDKGDSZUPQ-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
1.8
Consensus LogP
1.83
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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