CAS RN: 89115-93-5
2-Piperidinecarboxylic acid, 2-Methyl-, 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.20251029 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS89115-93-5
- Purity/Analytical Methods: >99.0%
89115-93-5 / methyl 2-methylpiperidine-2-carboxylate
Basic Information
CAS
89115-93-5
Multi CAS
Yes
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
InChI
InChI=1S/C8H15NO2/c1-8(7(10)11-2)5-3-4-6-9-8/h9H,3-6H2,1-2H3
InChIKey
ZAPUGMTZFAFQMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.27
TPSA
38.33
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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