CAS RN: 400797-94-6
1-Piperidinecarboxylic acid, 4-(2,3-dihydro-2-oxo-1H-indol-1-yl)-, 1,1-diMethylethyl ester
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.20250129 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS400797-94-6
- Purity/Analytical Methods: >99.0%
400797-94-6 / tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
Basic Information
CAS
400797-94-6
Multi CAS
No
Molecular Formula
C18H24N2O3
Molecular Weight
316.400000
Exact Mass
316.178693
InChI
InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)19-10-8-14(9-11-19)20-15-7-5-4-6-13(15)12-16(20)21/h4-7,14H,8-12H2,1-3H3
InChIKey
LWJUTDROJPEMKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
88.46
TPSA
49.85
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.4
Consensus LogP
2.67
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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