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CAS 67500-19-0 1-(5-aMino-2-fluorophenyl)ethanone molecular structure lightbox
CAS RN: 67500-19-0

1-(5-aMino-2-fluorophenyl)ethanone

  • Product code: SSC-177191
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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 67500-19-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

67500-19-0 / 1-(5-amino-2-fluorophenyl)ethanone

Standard CAS: 67500-19-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67500-19-0
Multi CAS
Yes
Molecular Formula
C8FH8NO
Molecular Weight
153.150000
Exact Mass
153.058992
InChI
InChI=1S/C8H8FNO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,10H2,1H3
InChIKey
WYTBQTMYNBKLHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.82
TPSA
43.09

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1
Consensus LogP
1.34
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-2.51

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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