![CAS 883065-90-5 4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/883065-90-5.gif)
CAS RN: 883065-90-5
4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2,4-dihydro-5-[(5-nitro-2-thiazolyl)thio]-3H-1,2,4-triazol-3-one
Product Availability
Choose a grade to view its available package options.
14 package records14 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250725 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250523 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250904 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250301 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260206 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251227 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260105 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-198873
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 |
883065-90-5 / 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one
Basic Information
CAS
883065-90-5
Multi CAS
Yes
Molecular Formula
C13H9N5O5S2
Molecular Weight
379.400000
Exact Mass
379.004511
InChI
InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19)
InChIKey
QFRLDZGQEZCCJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
1
Molar refractivity
88.07
TPSA
125.17
LogP / Solubility
WLOGP
1.85
MLOGP
1.65
XLogP3
2.7
Consensus LogP
2.07
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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