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CAS 2803279-96-9 2,4(1H,3H)-Quinazolinedione, 7-bromo-8-fluoro-6-(trifluoromethyl)- molecular structure lightbox
CAS RN: 2803279-96-9

2,4(1H,3H)-Quinazolinedione, 7-bromo-8-fluoro-6-(trifluoromethyl)-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-128621
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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: 0.1g, 0.25g, 1g, 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 2803279-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

2803279-96-9 / 7-bromo-8-fluoro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

Standard CAS: 2803279-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2803279-96-9
Multi CAS
Yes
Molecular Formula
BC9H3N2O2Rf4
Molecular Weight
327.030000
Exact Mass
325.931400
InChI
InChI=1S/C9H3BrF4N2O2/c10-4-3(9(12,13)14)1-2-6(5(4)11)15-8(18)16-7(2)17/h1H,(H2,15,16,17,18)
InChIKey
CMGFOBPMVILXBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.85
TPSA
65.72

LogP / Solubility

WLOGP
2.14
MLOGP
1.9
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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