![CAS 165947-52-4 6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-6H-thieno[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/165947-52-4.gif)
CAS RN: 165947-52-4
6-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-6H-thieno[2,3-c]pyridine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251005 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260603 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260103 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250506 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-072466
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
165947-52-4 / tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Basic Information
CAS
165947-52-4
Multi CAS
No
Molecular Formula
C12H17NO2S
Molecular Weight
239.340000
Exact Mass
239.098000
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC=C2
InChI
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-6-4-9-5-7-16-10(9)8-13/h5,7H,4,6,8H2,1-3H3
InChIKey
WSFBIDRTNUEVBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
64.67
TPSA
29.54
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
2.4
Consensus LogP
2.71
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.02
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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