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CAS 16499-56-2 6-FLUOROQUINAZOLIN-4-ONE molecular structure lightbox
CAS RN: 16499-56-2

6-FLUOROQUINAZOLIN-4-ONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-072116
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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, 25g
  • Available purity: ＞97%
  • 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 16499-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

16499-56-2 / 6-fluoro-3H-quinazolin-4-one

Standard CAS: 16499-56-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16499-56-2
Multi CAS
No
Molecular Formula
C8H5FN2O
Molecular Weight
164.140000
Exact Mass
164.038591
SMILES
C1=CC2=C(C=C1F)C(=O)NC=N2
InChI
InChI=1S/C8H5FN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
InChIKey
WCSMZAHKVXOYLH-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
0.8
Consensus LogP
0.93
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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