CAS RN: 80434-82-8

20-CARBOXY-LEUKOTRIENE B4

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS80434-82-8
  • Purity/Analytical Methods: >99.0%
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80434-82-8 / 5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid

Standard CAS: 80434-82-8 Multi CAS: Yes

Basic Information

CAS
80434-82-8
Multi CAS
Yes
Molecular Formula
C20H30O6
Molecular Weight
366.400000
Exact Mass
366.204239
InChI
InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)
InChIKey
SXWGPVJGNOLNHT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
4
H-bond donors
4
Molar refractivity
100.78
TPSA
115.06

LogP / Solubility

WLOGP
3.22
MLOGP
2.86
XLogP3
2.4
Consensus LogP
2.83
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67

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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