![CAS 4506-71-2 Ethyl 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a1355-jpgcontextbwfzdgvyfhjvb3r8mzq0mzl8aw1hz2uvanblz3xomzivadjilzg5mjgzmjizmji0njivqtezntuuanbnfde1ztk2ntqxywy4zjllowq0yjhmy2rimtdizjgwmdlkodg1mjk1zmnimmvhngq2nju1zgm5mgvjnzy4mtaxyji.jpeg)
CAS RN: 4506-71-2
Ethyl 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251205 | 100g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250101 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250201 | 25g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260320 | 500g | Out of stock | Inquiry | |
| Batchno.20251203 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250926 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-152916
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 | Shenzhen | Inquiry |
4506-71-2 / ethyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic Information
CAS
4506-71-2
Multi CAS
Yes
Molecular Formula
C11H15NO2S
Molecular Weight
225.310000
Exact Mass
225.082350
InChI
InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChIKey
CDYVTVLXEWMCHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.33
TPSA
52.32
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
3.3
Consensus LogP
2.6
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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