CAS RN: 287937-12-6
O-(2-AMINOETHYL)-5Z,8Z,11Z,14Z-EICOSATETRAENOATE
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.20250927 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS287937-12-6
- Purity/Analytical Methods: >99.0%
287937-12-6 / 2-aminoethyl icosa-5,8,11,14-tetraenoate
Basic Information
CAS
287937-12-6
Multi CAS
Yes
Molecular Formula
C22H37NO2
Molecular Weight
347.500000
Exact Mass
347.282429
InChI
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3
InChIKey
DLHLOYYQQGSXCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.59
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
1
Molar refractivity
108.42
TPSA
52.32
LogP / Solubility
WLOGP
5.63
MLOGP
4.98
XLogP3
5.7
Consensus LogP
5.44
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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