CAS RN: 26278-43-3
4-Hydroxy-2-adamantone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260220 | 1g | Out of stock | Inquiry |
- Product code: LINH926623
26278-43-3 / 4-hydroxyadamantan-2-one
Basic Information
CAS
26278-43-3
Multi CAS
No
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
SMILES
C1C2CC3CC1C(C(C2)C3=O)O
InChI
InChI=1S/C10H14O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-9,11H,1-4H2
InChIKey
MDHZLHGRJCMNLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.44
TPSA
37.3
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5
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