CAS RN: 24880-45-3
CIS-7,10,13,16,19-DOCOSA-PENTAENOIC ACID
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251027 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251225 | 1g | Out of stock | Inquiry | |
| Batchno.20250929 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251209 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260507 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS24880-45-3
- Purity/Analytical Methods: >99.0%
24880-45-3 / docosa-7,10,13,16,19-pentaenoic acid
Basic Information
CAS
24880-45-3
Multi CAS
No
Molecular Formula
C22H34O2
Molecular Weight
330.500000
Exact Mass
330.255880
SMILES
CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)O
InChI
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)
InChIKey
YUFFSWGQGVEMMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
105.18
TPSA
37.3
LogP / Solubility
WLOGP
6.77
MLOGP
5.98
XLogP3
6.7
Consensus LogP
6.48
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.23
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
No
Log Kp (skin permeation)
0.07
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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