CAS RN: 18427-44-6
9Z,11E,13E,15Z-OCTADECATETRAENOIC ACID
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.20250211 | 500μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS18427-44-6
- Purity/Analytical Methods: >99.0%
18427-44-6 / octadeca-9,11,13,15-tetraenoic acid
Basic Information
CAS
18427-44-6
Multi CAS
No
Molecular Formula
C18H28O2
Molecular Weight
276.400000
Exact Mass
276.208930
SMILES
CCC=CC=CC=CC=CCCCCCCCC(=O)O
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)
InChIKey
IJTNSXPMYKJZPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.81
TPSA
37.3
LogP / Solubility
WLOGP
5.44
MLOGP
4.79
XLogP3
5.9
Consensus LogP
5.38
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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