![CAS 1260843-94-4 1′-Acetyl-[1,4′-bipiperidine]-4-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260843-94-4.gif)
CAS RN: 1260843-94-4
1′-Acetyl-[1,4′-bipiperidine]-4-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.20250916 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1260843-94-4
- Purity/Analytical Methods: >99.0%
1260843-94-4 / 1-(1-acetylpiperidin-4-yl)piperidine-4-carboxylic acid
Basic Information
CAS
1260843-94-4
Multi CAS
No
Molecular Formula
C13H22N2O3
Molecular Weight
254.330000
Exact Mass
254.163043
SMILES
CC(=O)N1CCC(CC1)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C13H22N2O3/c1-10(16)14-8-4-12(5-9-14)15-6-2-11(3-7-15)13(17)18/h11-12H,2-9H2,1H3,(H,17,18)
InChIKey
UALMQZFSSLRDAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.21
TPSA
60.85
LogP / Solubility
WLOGP
0.79
MLOGP
0.71
XLogP3
-1.9
Consensus LogP
-0.13
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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