![CAS 18557-22-7 4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d887456.gif)
CAS RN: 18557-22-7
4,9-Dibromonaphtho[2,3-c][1,2,5]thiadiazole
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-085899
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: ≥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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
18557-22-7 / 4,9-dibromobenzo[f][2,1,3]benzothiadiazole
Basic Information
CAS
18557-22-7
Multi CAS
No
Molecular Formula
C10H4Br2N2S
Molecular Weight
344.030000
Exact Mass
343.844150
SMILES
C1=CC2=C(C3=NSN=C3C(=C2C=C1)Br)Br
InChI
InChI=1S/C10H4Br2N2S/c11-7-5-3-1-2-4-6(5)8(12)10-9(7)13-15-14-10/h1-4H
InChIKey
XGTQHVQKGZSPIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
3
Molar refractivity
70.32
TPSA
25.78
LogP / Solubility
WLOGP
4.37
MLOGP
3.86
XLogP3
4.4
Consensus LogP
4.21
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72
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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