CAS RN: 1356109-81-3
tert-butyl 3-(6-fluoropyridin-2-yl)azetidine-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.20250902 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1356109-81-3
- Purity/Analytical Methods: >99.0%
1356109-81-3 / tert-butyl 3-(6-fluoro-2-pyridinyl)azetidine-1-carboxylate
Basic Information
CAS
1356109-81-3
Multi CAS
No
Molecular Formula
C13H17FN2O2
Molecular Weight
252.280000
Exact Mass
252.127406
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NC(=CC=C2)F
InChI
InChI=1S/C13H17FN2O2/c1-13(2,3)18-12(17)16-7-9(8-16)10-5-4-6-11(14)15-10/h4-6,9H,7-8H2,1-3H3
InChIKey
BZMVGOIBDSUZGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
64.74
TPSA
42.43
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2
Consensus LogP
2.27
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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