CAS RN: 1428776-56-0
(3R,4S)-tert-Butyl 3-AMino-4-(trifluoroMethyl)pyrrolidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250211 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-054137
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1428776-56-0 / tert-butyl (3R,4S)-3-amino-4-(trifluoromethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
1428776-56-0
Multi CAS
No
Molecular Formula
C10H17F3N2O2
Molecular Weight
254.250000
Exact Mass
254.124212
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)N)C(F)(F)F
InChI
InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-4-6(7(14)5-15)10(11,12)13/h6-7H,4-5,14H2,1-3H3/t6-,7-/m0/s1
InChIKey
ZNVBVBJFGYWTQJ-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.33
TPSA
55.56
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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