CAS RN: 23314-57-0
TRIARACHIDONIN
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251218 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS23314-57-0
- Purity/Analytical Methods: >99.0%
23314-57-0 / 2,3-di(icosa-5,8,11,14-tetraenoyloxy)propyl icosa-5,8,11,14-tetraenoate
Basic Information
CAS
23314-57-0
Multi CAS
No
Molecular Formula
C63H98O6
Molecular Weight
951.400000
Exact Mass
950.736341
SMILES
CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChI
InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,43-48,60H,4-15,22-24,31-33,40-42,49-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-
InChIKey
HYVJNYYVNIYMDK-QSEXIABDSA-N
Computed Properties
Structural Parameters
Heavy atom count
69
Fraction Csp3
0.57
Rotatable bonds
47
H-bond acceptors
6
Molar refractivity
297.01
TPSA
78.9
LogP / Solubility
WLOGP
18.42
MLOGP
16.3
XLogP3
19.5
Consensus LogP
18.07
Log S (ESOL)
-14.24
Class (ESOL)
Insoluble
Log S (Ali)
-20.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-26.77
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)
4.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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