CAS RN: 1823776-36-8
Tert-Butyl 2-(4-Methoxyphenyl)-4-Oxopiperidine-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.20260506 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823776-36-8
- Purity/Analytical Methods: >99.0%
1823776-36-8 / tert-butyl 2-(4-methoxyphenyl)-4-oxopiperidine-1-carboxylate
Basic Information
CAS
1823776-36-8
Multi CAS
No
Molecular Formula
C17H23NO4
Molecular Weight
305.400000
Exact Mass
305.162708
SMILES
CC(C)(C)OC(=O)N1CCC(=O)CC1C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-16(20)18-10-9-13(19)11-15(18)12-5-7-14(21-4)8-6-12/h5-8,15H,9-11H2,1-4H3
InChIKey
YYOVHLBZTLRKCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
82.92
TPSA
55.84
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
2.1
Consensus LogP
2.8
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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