CAS RN: 25601-36-9
2-hydroxyethyl 2-ethylhexanoate
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.20250421 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS25601-36-9
- Purity/Analytical Methods: >99.0%
25601-36-9 / 2-hydroxyethyl 2-ethylhexanoate
Basic Information
CAS
25601-36-9
Multi CAS
No
Molecular Formula
C10H20O3
Molecular Weight
188.260000
Exact Mass
188.141245
SMILES
CCCCC(CC)C(=O)OCCO
InChI
InChI=1S/C10H20O3/c1-3-5-6-9(4-2)10(12)13-8-7-11/h9,11H,3-8H2,1-2H3
InChIKey
QAXOFQZVRNEBFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.35
TPSA
46.53
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
2.3
Consensus LogP
1.86
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
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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