![CAS 20503-40-6 6-AMINO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20503-40-6.gif)
CAS RN: 20503-40-6
6-AMINO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE
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.20250719 | 50mg / 250mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-096472
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
20503-40-6 / 1,1-dioxo-1-benzothiophen-6-amine
Basic Information
CAS
20503-40-6
Multi CAS
No
Molecular Formula
C8H7NO2S
Molecular Weight
181.210000
Exact Mass
181.019750
SMILES
C1=CC(=CC2=C1C=CS2(=O)=O)N
InChI
InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2
InChIKey
KRUCRVZSHWOMHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.07
TPSA
60.16
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.2
Consensus LogP
0.71
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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