![CAS 1356114-40-3 tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1356114-40-3.gif)
CAS RN: 1356114-40-3
tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260218 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250823 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250502 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260415 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260429 | 25g | Out of stock | Inquiry | ||
| Batchno.20250820 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-044134
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: ＞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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1356114-40-3 / azetidin-3-yl acetate;2,2,2-trifluoroacetic acid
Basic Information
CAS
1356114-40-3
Multi CAS
No
Molecular Formula
C7H10F3NO4
Molecular Weight
229.150000
Exact Mass
229.056192
SMILES
CC(=O)OC1CNC1.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C5H9NO2.C2HF3O2/c1-4(7)8-5-2-6-3-5;3-2(4,5)1(6)7/h5-6H,2-3H2,1H3;(H,6,7)
InChIKey
FFOJAXJYBZLGAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.11
TPSA
75.63
LogP / Solubility
WLOGP
0.15
MLOGP
0.14
XLogP3
0.15
Consensus LogP
0.15
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-4.01
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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