CAS RN: 1822-31-7
3-PIPERIDIN-3-YL-PROPIONIC 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.20251231 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1822-31-7
- Purity/Analytical Methods: >99.0%
1822-31-7 / 3-piperidin-3-ylpropanoic acid
Basic Information
CAS
1822-31-7
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
C1CC(CNC1)CCC(=O)O
InChI
InChI=1S/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11)
InChIKey
FCDZOPQSMGHRMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.46
TPSA
49.33
LogP / Solubility
WLOGP
0.85
MLOGP
0.74
XLogP3
-1.9
Consensus LogP
-0.1
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-3.07
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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