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CAS 80445-66-5 LEUKOTRIENE B5 molecular structure lightbox
CAS RN: 80445-66-5

LEUKOTRIENE B5

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS80445-66-5
  • Purity/Analytical Methods: >99.0%
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80445-66-5 / 5,12-dihydroxyicosa-6,8,10,14,17-pentaenoic acid

Standard CAS: 80445-66-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80445-66-5
Multi CAS
Yes
Molecular Formula
C20H30O4
Molecular Weight
334.400000
Exact Mass
334.214409
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)
InChIKey
BISQPGCQOHLHQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.45
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
3
Molar refractivity
98.73
TPSA
77.76

LogP / Solubility

WLOGP
3.93
MLOGP
3.48
XLogP3
3.4
Consensus LogP
3.6
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
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)
-1.97

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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