CAS RN: 22868-60-6
5-(1-piperidyl)furan-2-carbaldehyde
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.20251214 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22868-60-6
- Purity/Analytical Methods: >99.0%
22868-60-6 / 5-piperidin-1-ylfuran-2-carbaldehyde
Basic Information
CAS
22868-60-6
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
C1CCN(CC1)C2=CC=C(O2)C=O
InChI
InChI=1S/C10H13NO2/c12-8-9-4-5-10(13-9)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2
InChIKey
UEIBBOBGTJMFRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.16
TPSA
33.45
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
2.1
Consensus LogP
2
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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