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CAS 1804379-42-7 3-FLUORO-5-METHOXYPYRIDIN-4-AMINE molecular structure lightbox
CAS RN: 1804379-42-7

3-FLUORO-5-METHOXYPYRIDIN-4-AMINE

  • Product code: SSC-081229
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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 1804379-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1804379-42-7 / 3-fluoro-5-methoxypyridin-4-amine

Standard CAS: 1804379-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1804379-42-7
Multi CAS
No
Molecular Formula
C6H7FN2O
Molecular Weight
142.130000
Exact Mass
142.054241
SMILES
COC1=CN=CC(=C1N)F
InChI
InChI=1S/C6H7FN2O/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3,(H2,8,9)
InChIKey
WNYVDULNFQKSBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.16
TPSA
48.14

LogP / Solubility

WLOGP
0.81
MLOGP
0.71
XLogP3
0.2
Consensus LogP
0.57
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.01

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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