![CAS 28691-49-8 6-Chlorobenzo[d]isoxazole-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/28691-49-8.png)
CAS RN: 28691-49-8
6-Chlorobenzo[d]isoxazole-3-carboxylic acid
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251002 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260508 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250315 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250918 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260616 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250209 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-130270
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
28691-49-8 / 6-chloro-1,2-benzoxazole-3-carboxylic acid
Basic Information
CAS
28691-49-8
Multi CAS
No
Molecular Formula
C8H4ClNO3
Molecular Weight
197.570000
Exact Mass
196.987971
InChI
InChI=1S/C8H4ClNO3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChIKey
NWWICAZKQSVOGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.98
TPSA
63.33
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.2
Consensus LogP
2.1
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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