CAS RN: 92008-51-0

5(S)-HEPE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 50μg In stock Shanghai Inquiry
  • Product code: starshine_CAS92008-51-0
  • Purity/Analytical Methods: >99.0%
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92008-51-0 / 5-hydroxyicosa-6,8,11,14,17-pentaenoic acid

Standard CAS: 92008-51-0 Multi CAS: Yes

Basic Information

CAS
92008-51-0
Multi CAS
Yes
Molecular Formula
C20H30O3
Molecular Weight
318.400000
Exact Mass
318.219495
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)
InChIKey
FTAGQROYQYQRHF-UHFFFAOYSA-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
4.6
Consensus LogP
4.65
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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