CAS RN: 303186-14-3
2-ETHYL-2-ADAMANTYL ACRYLATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251003 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS303186-14-3
- Purity/Analytical Methods: >99.0%
303186-14-3 / (2-ethyl-2-adamantyl) prop-2-enoate
Basic Information
CAS
303186-14-3
Multi CAS
No
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
InChI
InChI=1S/C15H22O2/c1-3-14(16)17-15(4-2)12-6-10-5-11(8-12)9-13(15)7-10/h3,10-13H,1,4-9H2,2H3
InChIKey
NLNVUFXLNHSIQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
66.36
TPSA
26.3
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3.8
Consensus LogP
3.35
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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