CAS RN: 80404-14-4
4-OXO-2,2,6,6-TETRAMETHYLPIPERIDINE-D16,1-15N-1-OXYL
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.20250930 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS80404-14-4
- Purity/Analytical Methods: >99.0%
80404-14-4 / 1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one
Basic Information
CAS
80404-14-4
Multi CAS
Yes
Molecular Formula
C9H17NO2
Molecular Weight
171.240000
Exact Mass
171.125929
InChI
InChI=1S/C9H17NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h12H,5-6H2,1-4H3
InChIKey
KMEUSKGEUADGET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.02
TPSA
40.54
LogP / Solubility
WLOGP
1.6
MLOGP
1.4
XLogP3
0.5
Consensus LogP
1.17
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS80416-52-0
- Purity/Analytical method: >99.0%
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