CAS RN: 142828-41-9
ZZIGMBMMKHKCQW-GKFVBPDJSA-N
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.20260621 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS142828-41-9
- Purity/Analytical Methods: >99.0%
142828-41-9 / ethyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Basic Information
CAS
142828-41-9
Multi CAS
No
Molecular Formula
C24H40O2
Molecular Weight
360.600000
Exact Mass
360.302831
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC
InChI
InChI=1S/C24H40O2/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/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-23H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
InChIKey
ZZIGMBMMKHKCQW-GKFVBPDJSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.62
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
114.27
TPSA
26.3
LogP / Solubility
WLOGP
7.48
MLOGP
6.6
XLogP3
8.1
Consensus LogP
7.39
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.25
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)
0.39
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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