CAS RN: 1781740-66-6
tert-butyl 2-(1-cyanoethyl)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.20260206 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-078470
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 | Hong Kong | Inquiry |
1781740-66-6 / tert-butyl 2-(1-cyanoethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
1781740-66-6
Multi CAS
No
Molecular Formula
C12H20N2O2
Molecular Weight
224.300000
Exact Mass
224.152478
SMILES
CC(C#N)C1CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C12H20N2O2/c1-9(8-13)10-6-5-7-14(10)11(15)16-12(2,3)4/h9-10H,5-7H2,1-4H3
InChIKey
RWMFSSOBMVTXJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.74
TPSA
53.33
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
1.9
Consensus LogP
2.23
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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