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CAS 560082-51-1 8-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE molecular structure lightbox
CAS RN: 560082-51-1

8-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE

  • Product code: SSC-163983
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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 560082-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

560082-51-1 / 8-fluoro-4H-1,4-benzoxazin-3-one

Standard CAS: 560082-51-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
560082-51-1
Multi CAS
No
Molecular Formula
C8FH6NO2
Molecular Weight
167.140000
Exact Mass
167.038257
InChI
InChI=1S/C8H6FNO2/c9-5-2-1-3-6-8(5)12-4-7(11)10-6/h1-3H,4H2,(H,10,11)
InChIKey
DTRPZILXGOFOKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.52
TPSA
38.33

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-2.92

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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