CAS RN: 435270-83-0
3-(4-BENZYL-PIPERIDIN-1-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.20250117 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS435270-83-0
- Purity/Analytical Methods: >99.0%
435270-83-0 / 3-(4-benzylpiperidin-1-yl)propanoic acid
Basic Information
CAS
435270-83-0
Multi CAS
Yes
Molecular Formula
C15H21NO2
Molecular Weight
247.330000
Exact Mass
247.157229
InChI
InChI=1S/C15H21NO2/c17-15(18)8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,18)
InChIKey
ITMUQTABMZRAAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.56
TPSA
40.54
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
0.2
Consensus LogP
1.58
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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