![CAS 186267-76-5 6-Bromo-5-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/186267-76-5.gif)
CAS RN: 186267-76-5
6-Bromo-5-methyl-1H-benzo[d][1,3]oxazin-2(4H)-one
- Product code: SSC-086338
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, 1g, 5g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 3 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
186267-76-5 / 6-bromo-5-methyl-1,4-dihydro-3,1-benzoxazin-2-one
Basic Information
CAS
186267-76-5
Multi CAS
No
Molecular Formula
C9H8BrNO2
Molecular Weight
242.070000
Exact Mass
240.973840
SMILES
CC1=C(C=CC2=C1COC(=O)N2)Br
InChI
InChI=1S/C9H8BrNO2/c1-5-6-4-13-9(12)11-8(6)3-2-7(5)10/h2-3H,4H2,1H3,(H,11,12)
InChIKey
VSNATEZGRNWSTQ-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
52.69
TPSA
38.33
LogP / Solubility
WLOGP
2.82
MLOGP
2.49
XLogP3
2.1
Consensus LogP
2.47
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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)
-2.19
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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