CAS RN: 25234-25-7
2-ETHYLOCTANOIC ACID
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.20250707 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS25234-25-7
- Purity/Analytical Methods: >99.0%
25234-25-7 / 2-ethyloctanoic acid
Basic Information
CAS
25234-25-7
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
SMILES
CCCCCCC(CC)C(=O)O
InChI
InChI=1S/C10H20O2/c1-3-5-6-7-8-9(4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey
DMUXSGAKEXSNGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.18
TPSA
37.3
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
3.7
Consensus LogP
3.16
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-1.59
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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