CAS RN: 1224514-70-8
3-(Pyridin-2-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
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.20250824 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1224514-70-8
- Purity/Analytical Methods: >99.0%
1224514-70-8 / tert-butyl (3S)-3-pyridin-2-yloxypyrrolidine-1-carboxylate
Basic Information
CAS
1224514-70-8
Multi CAS
No
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)OC2=CC=CC=N2
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-9-7-11(10-16)18-12-6-4-5-8-15-12/h4-6,8,11H,7,9-10H2,1-3H3/t11-/m0/s1
InChIKey
YDBUDAIEOISMCW-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.08
TPSA
51.66
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.58
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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