CAS RN: 14377-63-0
“1,2-Ethanedione, 1-phenyl-2-(1-piperidinyl)-Piperidine, 1-(oxophenylacetyl)- (9CI)”
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.20250723 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14377-63-0
- Purity/Analytical Methods: >99.0%
14377-63-0 / 1-phenyl-2-piperidin-1-ylethane-1,2-dione
Basic Information
CAS
14377-63-0
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
C1CCN(CC1)C(=O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c15-12(11-7-3-1-4-8-11)13(16)14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
BWSCMJUJHSJAEV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.2
TPSA
37.38
LogP / Solubility
WLOGP
1.88
MLOGP
1.66
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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