CAS RN: 90906-40-4
(+/-)4-HDOHE
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.20250820 | 50μg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS90906-40-4
- Purity/Analytical Methods: >99.0%
90906-40-4 / (5E,7E,10E,13E,16E,19E)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
Basic Information
CAS
90906-40-4
Multi CAS
Yes
Molecular Formula
C22H32O3
Molecular Weight
344.500000
Exact Mass
344.235145
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+
InChIKey
IFRKCNPQVIJFAQ-PQVBWYSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.41
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
106.48
TPSA
57.53
LogP / Solubility
WLOGP
5.52
MLOGP
4.87
XLogP3
5.1
Consensus LogP
5.16
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
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)
-0.9
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
3
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