CAS RN: 1261232-73-8
2-(4-Amino-piperidin-1-yl)-1-furan-2-yl-ethanone hydrochloride
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.20250903 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261232-73-8
- Purity/Analytical Methods: >99.0%
1261232-73-8 / 2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone;hydrochloride
Basic Information
CAS
1261232-73-8
Multi CAS
No
Molecular Formula
C11H17ClN2O2
Molecular Weight
244.720000
Exact Mass
244.097856
SMILES
C1CN(CCC1N)CC(=O)C2=CC=CO2.Cl
InChI
InChI=1S/C11H16N2O2.ClH/c12-9-3-5-13(6-4-9)8-10(14)11-2-1-7-15-11;/h1-2,7,9H,3-6,8,12H2;1H
InChIKey
FXWRUSSWEQPUKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.94
TPSA
59.47
LogP / Solubility
WLOGP
1.31
MLOGP
1.16
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-3.28
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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