![CAS 30030-83-2 1-[4-(1H-INDOL-3-YL)PIPERIDINO]ETHAN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30030-83-2.gif)
CAS RN: 30030-83-2
1-[4-(1H-INDOL-3-YL)PIPERIDINO]ETHAN-1-ONE
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.20250221 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS30030-83-2
- Purity/Analytical Methods: >99.0%
30030-83-2 / 1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
Basic Information
CAS
30030-83-2
Multi CAS
Yes
Molecular Formula
C15H18N2O
Molecular Weight
242.320000
Exact Mass
242.141913
InChI
InChI=1S/C15H18N2O/c1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15/h2-5,10,12,16H,6-9H2,1H3
InChIKey
PRFIVCWVSORYRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.53
TPSA
36.1
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.3
Consensus LogP
2.58
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14
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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