CAS RN: 540750-32-1
6-bromo-1,2-benzisoxazole-3-acetic acid
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.20251210 | 100mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260418 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250807 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260526 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251221 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: SSC-161607
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, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- 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 | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 2 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
540750-32-1 / 2-(6-bromo-1,2-benzoxazol-3-yl)acetic acid
Basic Information
CAS
540750-32-1
Multi CAS
No
Molecular Formula
BC9H6O3Rn
Molecular Weight
256.050000
Exact Mass
254.953110
InChI
InChI=1S/C9H6BrNO3/c10-5-1-2-6-7(4-9(12)13)11-14-8(6)3-5/h1-3H,4H2,(H,12,13)
InChIKey
RONZZCMCCIGNDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.05
TPSA
63.33
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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