CAS RN: 7716-66-7
3-Chloro-1,2-benzisothiazole
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251005 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251017 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260523 | 1kg | Out of stock | Inquiry | |
| Batchno.20250614 | 25g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20251207 | 500g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250204 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260412 | 5g / 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-186659
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
7716-66-7 / 3-chloro-1,2-benzothiazole
Basic Information
CAS
7716-66-7
Multi CAS
No
Molecular Formula
C7H4CLNS
Molecular Weight
169.630000
Exact Mass
168.975298
InChI
InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChIKey
BCPVKLRBQLRWDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
44.63
TPSA
12.89
LogP / Solubility
WLOGP
2.95
MLOGP
2.59
XLogP3
3.3
Consensus LogP
2.95
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-1.66
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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