CAS RN: 1346673-86-6
TERT-BUTYL 3-(6-AMINOPYRIDIN-3-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.20250523 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1346673-86-6
- Purity/Analytical Methods: >99.0%
1346673-86-6 / tert-butyl 3-(6-amino-3-pyridinyl)azetidine-1-carboxylate
Basic Information
CAS
1346673-86-6
Multi CAS
No
Molecular Formula
C13H19N3O2
Molecular Weight
249.310000
Exact Mass
249.147727
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=CN=C(C=C2)N
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)16-7-10(8-16)9-4-5-11(14)15-6-9/h4-6,10H,7-8H2,1-3H3,(H2,14,15)
InChIKey
VWZBYNYTJNRVGW-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
4
H-bond donors
1
Molar refractivity
69.2
TPSA
68.45
LogP / Solubility
WLOGP
2
MLOGP
1.76
XLogP3
1.2
Consensus LogP
1.65
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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