CAS RN: 72518-41-3
2-METHYL-2-PIPERIDINE CARBOXYLIC ACID
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.20250429 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS72518-41-3
- Purity/Analytical Methods: >99.0%
72518-41-3 / 2-methylpiperidine-2-carboxylic acid
Basic Information
CAS
72518-41-3
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10)4-2-3-5-8-7/h8H,2-5H2,1H3,(H,9,10)
InChIKey
GLNOAERYNWZGJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.89
TPSA
49.33
LogP / Solubility
WLOGP
0.6
MLOGP
0.52
XLogP3
-1.8
Consensus LogP
-0.23
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-3.17
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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