CAS RN: 778-11-0
ADAMANTAN-1-YLMETHYL ACETATE
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.20260617 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS778-11-0
- Purity/Analytical Methods: >99.0%
778-11-0 / 1-adamantylmethyl acetate
Basic Information
CAS
778-11-0
Multi CAS
No
Molecular Formula
C13H20O2
Molecular Weight
208.300000
Exact Mass
208.146330
InChI
InChI=1S/C13H20O2/c1-9(14)15-8-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,2-8H2,1H3
InChIKey
KKJMYDWRRJHYOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.24
TPSA
26.3
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
3
Consensus LogP
2.73
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.03
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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- CAS RN: 778-34-7
- Product Code: starshine_CAS778-34-7
- Purity/Analytical method: >99.0%
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