CAS RN: 2241721-74-2
7-bromo-8-fluoro-6-iodoquinazoline-2,4(1H,3H)-dione
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 250mg / 500mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2241721-74-2
- Purity/Analytical Methods: >99.0%
2241721-74-2 / 7-bromo-8-fluoro-6-iodo-1H-quinazoline-2,4-dione
Basic Information
CAS
2241721-74-2
Multi CAS
No
Molecular Formula
C8H3BrFIN2O2
Molecular Weight
384.930000
Exact Mass
383.840670
SMILES
C1=C2C(=C(C(=C1I)Br)F)NC(=O)NC2=O
InChI
InChI=1S/C8H3BrFIN2O2/c9-4-3(11)1-2-6(5(4)10)12-8(15)13-7(2)14/h1H,(H2,12,13,14,15)
InChIKey
FCDTXFXVRFUWTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.56
TPSA
65.72
LogP / Solubility
WLOGP
1.72
MLOGP
1.54
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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