CAS RN: 1217737-76-2
(S)-1-Boc-3-piperidineacetic acid methyl 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.20260501 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1217737-76-2
- Purity/Analytical Methods: >99.0%
1217737-76-2 / tert-butyl (3S)-3-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
Basic Information
CAS
1217737-76-2
Multi CAS
No
Molecular Formula
C13H23NO4
Molecular Weight
257.330000
Exact Mass
257.162708
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)CC(=O)OC
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-7-5-6-10(9-14)8-11(15)17-4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKey
BTYQWISIPUWRJR-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.16
TPSA
55.84
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
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)
-2.73
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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![CAS 1217739-96-2 2-[(3R)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1217739-96-2.gif)
