CAS RN: 5598-37-8
(+/-)-11-HYDROXY-12E,14Z-EICOSADIENOIC 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.20251028 | 100μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5598-37-8
- Purity/Analytical Methods: >99.0%
5598-37-8 / (12E,14Z)-11-hydroxyicosa-12,14-dienoic acid
Basic Information
CAS
5598-37-8
Multi CAS
Yes
Molecular Formula
C20H36O3
Molecular Weight
324.500000
Exact Mass
324.266445
InChI
InChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+
InChIKey
HDMIRVFIVOGVIC-YTLDOUCOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.75
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.62
TPSA
57.53
LogP / Solubility
WLOGP
5.64
MLOGP
4.97
XLogP3
6.4
Consensus LogP
5.67
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
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)
-0.7
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
3
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- CAS RN: 5598-53-8
- Product Code: starshine_CAS5598-53-8
- Purity/Analytical method: >99.0%
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