![CAS 309965-30-8 6-bromo-3-methyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/309965-30-8.gif)
CAS RN: 309965-30-8
6-bromo-3-methyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260122 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260518 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260303 | 1g | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20250920 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20260116 | 5g | In stock | Shenzhen | Inquiry |
- Product code: starshine_CAS309965-30-8
- Purity/Analytical Methods: >99.0%
309965-30-8 / 6-bromo-3-methyl-4H-1,3-benzoxazin-2-one
Basic Information
CAS
309965-30-8
Multi CAS
No
Molecular Formula
BC9H8O2Rn
Molecular Weight
242.070000
Exact Mass
240.973840
InChI
InChI=1S/C9H8BrNO2/c1-11-5-6-4-7(10)2-3-8(6)13-9(11)12/h2-4H,5H2,1H3
InChIKey
RDZNJVWTLNPLDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
51.63
TPSA
29.54
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-2.5
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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