![CAS 121564-97-4 6-BROMO-8-METHYL-4H-BENZO[1,4]OXAZIN-3-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/121564-97-4.gif)
CAS RN: 121564-97-4
6-BROMO-8-METHYL-4H-BENZO[1,4]OXAZIN-3-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250106 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-024107
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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
121564-97-4 / 6-bromo-8-methyl-4H-1,4-benzoxazin-3-one
Basic Information
CAS
121564-97-4
Multi CAS
No
Molecular Formula
C9H8BrNO2
Molecular Weight
242.070000
Exact Mass
240.973840
SMILES
CC1=CC(=CC2=C1OCC(=O)N2)Br
InChI
InChI=1S/C9H8BrNO2/c1-5-2-6(10)3-7-9(5)13-4-8(12)11-7/h2-3H,4H2,1H3,(H,11,12)
InChIKey
PLKXHZTWQITWFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53
TPSA
38.33
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
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)
-2.71
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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