CAS RN: 1417789-26-4
(R)-3-(6-AMino-pyrazin-2-yloxy)-piperidine-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.20250309 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417789-26-4
- Purity/Analytical Methods: >99.0%
1417789-26-4 / tert-butyl (3R)-3-(6-aminopyrazin-2-yl)oxypiperidine-1-carboxylate
Basic Information
CAS
1417789-26-4
Multi CAS
No
Molecular Formula
C14H22N4O3
Molecular Weight
294.350000
Exact Mass
294.169191
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)OC2=NC(=CN=C2)N
InChI
InChI=1S/C14H22N4O3/c1-14(2,3)21-13(19)18-6-4-5-10(9-18)20-12-8-16-7-11(15)17-12/h7-8,10H,4-6,9H2,1-3H3,(H2,15,17)/t10-/m1/s1
InChIKey
GIHFUWYGGUNZCV-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.9
TPSA
90.57
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
1.2
Consensus LogP
1.56
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 1417789-32-2 (3aR,6aR)-1-Methyl-5-ethoxycarbonylhexahydropyrrolo[3,4-b]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02534385(2).gif)
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