CAS RN: 5676-56-2
5-BROMO-2-METHYLBENZODOXAZOLE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-164789
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: 1g, 5g, 10g, 0.25g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 100g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
5676-56-2 / 5-bromo-2-methyl-1,3-benzoxazole
Basic Information
CAS
5676-56-2
Multi CAS
No
Molecular Formula
BC8H6ORn
Molecular Weight
212.040000
Exact Mass
210.963280
InChI
InChI=1S/C8H6BrNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
ZBCCSPFGJDVVJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
46.45
TPSA
26.03
LogP / Solubility
WLOGP
2.9
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
