CAS RN: 68489-14-5
Cooler 5(WS-5)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250613 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: starshine_CAS68489-14-5
- Purity/Analytical Methods: >99.0%
68489-14-5 / ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
Basic Information
CAS
68489-14-5
Multi CAS
Yes
Molecular Formula
C15H27NO3
Molecular Weight
269.380000
Exact Mass
269.199094
InChI
InChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)/t11-,12+,13-/m1/s1
InChIKey
GWRCTWAPTXBPHW-FRRDWIJNSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.48
TPSA
55.4
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
3.4
Consensus LogP
2.62
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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