CAS RN: 1573548-14-7
(2-amino-2-adamantyl)acetic acid
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.20260107 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1573548-14-7
- Purity/Analytical Methods: >99.0%
1573548-14-7 / 2-(2-amino-2-adamantyl)acetic acid
Basic Information
CAS
1573548-14-7
Multi CAS
No
Molecular Formula
C12H19NO2
Molecular Weight
209.280000
Exact Mass
209.141579
SMILES
C1C2CC3CC1CC(C2)C3(CC(=O)O)N
InChI
InChI=1S/C12H19NO2/c13-12(6-11(14)15)9-2-7-1-8(4-9)5-10(12)3-7/h7-10H,1-6,13H2,(H,14,15)
InChIKey
VOWMKAWURROZJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.22
TPSA
63.32
LogP / Solubility
WLOGP
1.61
MLOGP
1.42
XLogP3
-0.7
Consensus LogP
0.78
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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