CAS RN: 887752-13-8
7(S),17(S)-dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic 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.20260103 | 50μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS887752-13-8
- Purity/Analytical Methods: >99.0%
887752-13-8 / (8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid
Basic Information
CAS
887752-13-8
Multi CAS
Yes
Molecular Formula
C22H34O4
Molecular Weight
362.500000
Exact Mass
362.245710
InChI
InChI=1S/C22H34O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-12,16-17,20-21,23-24H,2,4,9,13-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,16-11+,17-12+
InChIKey
JUBMLVBCKBUAQW-GDVQGPIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
3
H-bond donors
3
Molar refractivity
107.96
TPSA
77.76
LogP / Solubility
WLOGP
4.71
MLOGP
4.17
XLogP3
4.3
Consensus LogP
4.39
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.73
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
Yes
Log Kp (skin permeation)
-1.58
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
3.5
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