![CAS 1243389-57-2 6-Bromo-3-chlorobenzo[d]isoxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1243389-57-2.gif)
CAS RN: 1243389-57-2
6-Bromo-3-chlorobenzo[d]isoxazole
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260111 | 100mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20260507 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260204 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260128 | 25mg / 100mg / 1g | Confirm by inquiry | Shandong | 8-10 business days | Inquiry |
| Batchno.20260622 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-028260
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1243389-57-2 / 6-bromo-3-chloro-1,2-benzoxazole
Basic Information
CAS
1243389-57-2
Multi CAS
No
Molecular Formula
C7H3BrClNO
Molecular Weight
232.460000
Exact Mass
230.908650
SMILES
C1=CC2=C(C=C1Br)ON=C2Cl
InChI
InChI=1S/C7H3BrClNO/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H
InChIKey
OQLUUNXXNDSROP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
46.72
TPSA
26.03
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
