![CAS 769106-43-6 TERT-BUTYL 2′-OXO-2′,4′-DIHYDRO-1’H-SPIRO[PIPERIDINE-4,3′-QUINOLINE]-1-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/769106-43-6.gif)
CAS RN: 769106-43-6
TERT-BUTYL 2′-OXO-2′,4′-DIHYDRO-1’H-SPIRO[PIPERIDINE-4,3′-QUINOLINE]-1-CARBOXYLATE
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.20250615 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS769106-43-6
- Purity/Analytical Methods: >99.0%
769106-43-6 / tert-butyl 2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxylate
Basic Information
CAS
769106-43-6
Multi CAS
No
Molecular Formula
C18H24N2O3
Molecular Weight
316.400000
Exact Mass
316.178693
InChI
InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-8-18(9-11-20)12-13-6-4-5-7-14(13)19-15(18)21/h4-7H,8-12H2,1-3H3,(H,19,21)
InChIKey
IMTSIRGIMYGZCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.25
TPSA
58.64
LogP / Solubility
WLOGP
3.2
MLOGP
2.83
XLogP3
2.3
Consensus LogP
2.78
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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