CAS RN: 1228312-14-8
R-1-N-Boc-3-vinyl-pyrrolidine
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.20250519 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1228312-14-8
- Purity/Analytical Methods: >99.0%
1228312-14-8 / tert-butyl (3R)-3-ethenylpyrrolidine-1-carboxylate
Basic Information
CAS
1228312-14-8
Multi CAS
No
Molecular Formula
C11H19NO2
Molecular Weight
197.270000
Exact Mass
197.141579
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)C=C
InChI
InChI=1S/C11H19NO2/c1-5-9-6-7-12(8-9)10(13)14-11(2,3)4/h5,9H,1,6-8H2,2-4H3/t9-/m0/s1
InChIKey
AIWBHQLFAKSRML-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.11
TPSA
29.54
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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