![CAS 24088-82-2 6-BROMO-2H-BENZO[E][1,3]OXAZINE-2,4(3H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24088-82-2.gif)
CAS RN: 24088-82-2
6-BROMO-2H-BENZO[E][1,3]OXAZINE-2,4(3H)-DIONE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260307 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS24088-82-2
- Purity/Analytical Methods: >99.0%
24088-82-2 / 6-bromo-1,3-benzoxazine-2,4-dione
Basic Information
CAS
24088-82-2
Multi CAS
No
Molecular Formula
C8H4BrNO3
Molecular Weight
242.030000
Exact Mass
240.937460
SMILES
C1=CC2=C(C=C1Br)C(=O)NC(=O)O2
InChI
InChI=1S/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3H,(H,10,11,12)
InChIKey
QFUCRLHRLJFXBG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.8
TPSA
63.07
LogP / Solubility
WLOGP
1.24
MLOGP
1.1
XLogP3
1.7
Consensus LogP
1.35
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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