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CAS 905587-45-3 6-Fluoro-alpha-methylpyridine-3-methanamine molecular structure lightbox
CAS RN: 905587-45-3

6-Fluoro-alpha-methylpyridine-3-methanamine

  • Product code: SSC-203090
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 905587-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

905587-45-3 / 1-(6-fluoro-3-pyridinyl)ethanamine

Standard CAS: 905587-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
905587-45-3
Multi CAS
No
Molecular Formula
C7FH9N2
Molecular Weight
140.160000
Exact Mass
140.074976
InChI
InChI=1S/C7H9FN2/c1-5(9)6-2-3-7(8)10-4-6/h2-5H,9H2,1H3
InChIKey
JBTAFZSFQDNIMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.8
TPSA
38.91

LogP / Solubility

WLOGP
1.24
MLOGP
1.08
XLogP3
0.5
Consensus LogP
0.94
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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
2

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