CAS RN: 4219-46-9
2-hydroxyethyl butyrate
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.20250605 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS4219-46-9
- Purity/Analytical Methods: >99.0%
4219-46-9 / 2-hydroxyethyl butanoate
Basic Information
CAS
4219-46-9
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-2-3-6(8)9-5-4-7/h7H,2-5H2,1H3
InChIKey
GIOCILWWMFZESP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.95
TPSA
46.53
LogP / Solubility
WLOGP
0.32
MLOGP
0.28
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-0.6
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.27
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)
-3.3
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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