CAS RN: 913979-70-1
(S)-tert-butyl 2-(2,2,2-trifluoroacetyl)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.20250116 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-204439
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 | Hong Kong | Inquiry |
913979-70-1 / tert-butyl (2S)-2-(2,2,2-trifluoroacetyl)pyrrolidine-1-carboxylate
Basic Information
CAS
913979-70-1
Multi CAS
Yes
Molecular Formula
C11F3H16NO3
Molecular Weight
267.240000
Exact Mass
267.108228
InChI
InChI=1S/C11H16F3NO3/c1-10(2,3)18-9(17)15-6-4-5-7(15)8(16)11(12,13)14/h7H,4-6H2,1-3H3/t7-/m0/s1
InChIKey
OPXZYCVUEJSXKH-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
57.02
TPSA
46.61
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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