CAS RN: 81926-94-5
ETHYLDOCOSAHEXAENOATE
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.20260123 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: starshine_CAS81926-94-5
- Purity/Analytical Methods: >99.0%
81926-94-5 / ethyl docosa-4,7,10,13,16,19-hexaenoate
Basic Information
CAS
81926-94-5
Multi CAS
Yes
Molecular Formula
C24H36O2
Molecular Weight
356.500000
Exact Mass
356.271530
InChI
InChI=1S/C24H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
InChIKey
ITNKVODZACVXDS-YNUSHXQLSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.46
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
114.08
TPSA
26.3
LogP / Solubility
WLOGP
7.03
MLOGP
6.2
XLogP3
6.9
Consensus LogP
6.71
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.61
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)
0.09
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
2.5
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