CAS RN: 5170-41-2
2,1,3-benzothiadiazole-4,7-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250827 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-158653
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
5170-41-2 / 2,1,3-benzothiadiazole-4,7-dicarboxylic acid
Basic Information
CAS
5170-41-2
Multi CAS
No
Molecular Formula
C8H4N2O4S
Molecular Weight
224.200000
Exact Mass
223.989178
InChI
InChI=1S/C8H4N2O4S/c11-7(12)3-1-2-4(8(13)14)6-5(3)9-15-10-6/h1-2H,(H,11,12)(H,13,14)
InChIKey
KLJMFMKPFLWVRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.33
TPSA
100.38
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
0.8
Consensus LogP
0.95
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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