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CAS 876-76-6 8-Fluoro-1H-cinnolin-4-one molecular structure lightbox
CAS RN: 876-76-6

8-Fluoro-1H-cinnolin-4-one

  • Product code: SSC-197746
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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 876-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

876-76-6 / 8-fluoro-1H-cinnolin-4-one

Standard CAS: 876-76-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
876-76-6
Multi CAS
Yes
Molecular Formula
C8FH5N2O
Molecular Weight
164.140000
Exact Mass
164.038591
InChI
InChI=1S/C8H5FN2O/c9-6-3-1-2-5-7(12)4-10-11-8(5)6/h1-4H,(H,11,12)
InChIKey
UTBSRJYKPXUAQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.32
TPSA
45.75

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.4
Consensus LogP
1.13
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.97

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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