CAS RN: 71985-82-5
3-(3-PIPERIDINE)PROPIONIC ACID HCL
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.20251204 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS71985-82-5
- Purity/Analytical Methods: >99.0%
71985-82-5 / 3-piperidin-3-ylpropanoic acid;hydrochloride
Basic Information
CAS
71985-82-5
Multi CAS
Yes
Molecular Formula
C8H16CLNO2
Molecular Weight
193.670000
Exact Mass
193.086956
InChI
InChI=1S/C8H15NO2.ClH/c10-8(11)4-3-7-2-1-5-9-6-7;/h7,9H,1-6H2,(H,10,11);1H
InChIKey
SKDLOWHMBJEXPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.71
TPSA
49.33
LogP / Solubility
WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately 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
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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