CAS RN: 99217-77-3
(+/-)-8-HYDROXY-5Z,9E,11Z,14Z,17Z-EICOSAPENTAENOIC 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.20250123 | 100μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99217-77-3
- Purity/Analytical Methods: >99.0%
99217-77-3 / (5Z,9E,11Z,14Z,17Z)-8-hydroxyicosa-5,9,11,14,17-pentaenoic acid
Basic Information
CAS
99217-77-3
Multi CAS
Yes
Molecular Formula
C20H30O3
Molecular Weight
318.400000
Exact Mass
318.219495
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,14-11-,16-13+
InChIKey
WLOUCHKFBGGNEB-GXIKJMEPSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.45
Rotatable bonds
13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.34
TPSA
57.53
LogP / Solubility
WLOGP
4.96
MLOGP
4.38
XLogP3
4.5
Consensus LogP
4.61
Log S (ESOL)
-4.08
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
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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