CAS RN: 1540-28-9
Ethyl 2-propylacetoacetate
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.20250609 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1540-28-9
- Purity/Analytical Methods: >99.0%
1540-28-9 / ethyl 2-acetylpentanoate
Basic Information
CAS
1540-28-9
Multi CAS
No
Molecular Formula
C9H16O3
Molecular Weight
172.220000
Exact Mass
172.109944
SMILES
CCCC(C(=O)C)C(=O)OCC
InChI
InChI=1S/C9H16O3/c1-4-6-8(7(3)10)9(11)12-5-2/h8H,4-6H2,1-3H3
InChIKey
VHOACUZAQKMOEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
45.71
TPSA
43.37
LogP / Solubility
WLOGP
1.55
MLOGP
1.36
XLogP3
1.8
Consensus LogP
1.57
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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- CAS RN: 1541-81-7
- Product Code: starshine_CAS1541-81-7
- Purity/Analytical method: >99.0%
