CAS RN: 872598-44-2
1-Methyl-2-azaadamantane-N-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.20250511 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LINM920147
872598-44-2 / 1-Methyl-2-azaadamantane-N-oxyl
Basic Information
CAS
872598-44-2
Multi CAS
Yes
Molecular Formula
C10H16NO
Molecular Weight
166.240000
Exact Mass
166.123189
InChI
InChI=1S/C10H16NO/c1-10-5-7-2-8(6-10)4-9(3-7)11(10)12/h7-9H,2-6H2,1H3
InChIKey
IBNXYCCLPCGKDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
44.78
TPSA
23.14
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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