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CAS 1374208-43-1 7-bromo-6-fluoroquinazoline-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 1374208-43-1

7-bromo-6-fluoroquinazoline-2,4(1H,3H)-dione

  • Product code: SSC-046962
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 5g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1374208-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

1374208-43-1 / 7-bromo-6-fluoro-1H-quinazoline-2,4-dione

Standard CAS: 1374208-43-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374208-43-1
Multi CAS
No
Molecular Formula
C8H4BrFN2O2
Molecular Weight
259.030000
Exact Mass
257.944020
SMILES
C1=C2C(=CC(=C1F)Br)NC(=O)NC2=O
InChI
InChI=1S/C8H4BrFN2O2/c9-4-2-6-3(1-5(4)10)7(13)12-8(14)11-6/h1-2H,(H2,11,12,13,14)
InChIKey
XMADIRQHOPEMRG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.85
TPSA
65.72

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.6
Consensus LogP
1.24
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.51

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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