CAS RN: 770-69-4
1-Ethyladamantane
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250312 | 50mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTE0417
- Purity/Analytical Methods: >98.0%(GC)
770-69-4 / 2-ethyladamantane
Basic Information
CAS
770-69-4
Multi CAS
Yes
Molecular Formula
C12H20
Molecular Weight
164.290000
Exact Mass
164.156501
InChI
InChI=1S/C12H20/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3
InChIKey
LIAWCKFOFPPVGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
50.83
TPSA
0.0000
LogP / Solubility
WLOGP
3.47
MLOGP
3.05
XLogP3
4.6
Consensus LogP
3.71
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
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)
-1.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
