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CAS 458-52-6 2-FLUORO-4-METHOXYANILINE molecular structure lightbox
CAS RN: 458-52-6

2-FLUORO-4-METHOXYANILINE

  • Product code: SSC-153444
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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: 5g
  • 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 458-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

458-52-6 / 4-fluoro-3-methoxyaniline

Standard CAS: 458-52-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
458-52-6
Multi CAS
Yes
Molecular Formula
C7FH8NO
Molecular Weight
141.140000
Exact Mass
141.058992
InChI
InChI=1S/C7H8FNO/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,9H2,1H3
InChIKey
XAACOEWSHBIFGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.36
TPSA
35.25

LogP / Solubility

WLOGP
1.42
MLOGP
1.24
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.58

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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