CAS RN: 124111-47-3
2-Hydroxytetracosaic acid ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251017 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS124111-47-3
- Purity/Analytical Methods: >99.0%
124111-47-3 / ethyl 2-hydroxytetracosanoate
Basic Information
CAS
124111-47-3
Multi CAS
No
Molecular Formula
C26H52O3
Molecular Weight
412.700000
Exact Mass
412.391646
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC)O
InChI
InChI=1S/C26H52O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29-4-2/h25,27H,3-24H2,1-2H3
InChIKey
XNIPTMIZKFSVOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.96
Rotatable bonds
23
H-bond acceptors
3
H-bond donors
1
Molar refractivity
125.27
TPSA
46.53
LogP / Solubility
WLOGP
8.12
MLOGP
7.17
XLogP3
11.4
Consensus LogP
8.9
Log S (ESOL)
-6
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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