CAS RN: 1660-05-5
1-(1-ADAMANTYL)PROPAN-1-ONE
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.20260112 | 250mg / 500mg / 1g | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1660-05-5
- Purity/Analytical Methods: >99.0%
1660-05-5 / 1-(1-adamantyl)propan-1-one
Basic Information
CAS
1660-05-5
Multi CAS
No
Molecular Formula
C13H20O
Molecular Weight
192.300000
Exact Mass
192.151415
SMILES
CCC(=O)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H20O/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3
InChIKey
CUQIZWVVFUGCDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
55.9
TPSA
17.07
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
3
Consensus LogP
2.99
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-1.63
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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