CAS RN: 88418-69-3
4-ISOCYANATO-TEMPO
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.20260217 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS88418-69-3
- Purity/Analytical Methods: >99.0%
88418-69-3 / 4-isocyanato-2,2,6,6-tetramethyl-1-oxidopiperidine
Basic Information
CAS
88418-69-3
Multi CAS
Yes
Molecular Formula
C10H17N2O2
Molecular Weight
197.250000
Exact Mass
197.129003
InChI
InChI=1S/C10H17N2O2/c1-9(2)5-8(11-7-13)6-10(3,4)12(9)14/h8H,5-6H2,1-4H3/q-1
InChIKey
OXIRLWXVLZEWBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
54.51
TPSA
55.73
LogP / Solubility
WLOGP
1.84
MLOGP
1.62
XLogP3
2.2
Consensus LogP
1.89
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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