CAS RN: 21884-26-4
isopropyl 4-oxovalerate
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.20260308 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong, Chongqing, Shanghai | Inquiry |
- Product code: starshine_CAS21884-26-4
- Purity/Analytical Methods: >99.0%
21884-26-4 / propan-2-yl 4-oxopentanoate
Basic Information
CAS
21884-26-4
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
SMILES
CC(C)OC(=O)CCC(=O)C
InChI
InChI=1S/C8H14O3/c1-6(2)11-8(10)5-4-7(3)9/h6H,4-5H2,1-3H3
InChIKey
MGJRGGIHFUREHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
41.14
TPSA
43.37
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
0.5
Consensus LogP
0.99
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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