CAS RN: 1217704-63-6
N-Acetyl-d3 Adamantamine
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.20250515 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1217704-63-6
- Purity/Analytical Methods: >99.0%
1217704-63-6 / N-(1-adamantyl)-2,2,2-trideuterioacetamide
Basic Information
CAS
1217704-63-6
Multi CAS
No
Molecular Formula
C12H19NO
Molecular Weight
196.300000
Exact Mass
196.165494
SMILES
[2H]C([2H])([2H])C(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/i1D3
InChIKey
BCVXYGJCDZPKGV-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.72
TPSA
29.1
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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