CAS RN: 16508-89-7
Ethyl Acetolactate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250113 | 5mg / 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS16508-89-7
- Purity/Analytical Methods: >99.0%
16508-89-7 / ethyl 2-hydroxy-4-oxopentanoate
Basic Information
CAS
16508-89-7
Multi CAS
No
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
SMILES
CCOC(=O)C(CC(=O)C)O
InChI
InChI=1S/C7H12O4/c1-3-11-7(10)6(9)4-5(2)8/h6,9H,3-4H2,1-2H3
InChIKey
KMGFCSZYXHRXSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.94
TPSA
63.6
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.5
Consensus LogP
-0.24
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
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)
-3.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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