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CAS 71160-24-2 LEUKOTRIENE B4 molecular structure lightbox
CAS RN: 71160-24-2

LEUKOTRIENE B4

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 10μg In stock Shanghai, Hebei Inquiry
  • Product code: starshine_CAS71160-24-2
  • Purity/Analytical Methods: >99.0%
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71160-24-2 / 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid

Standard CAS: 71160-24-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71160-24-2
Multi CAS
Yes
Molecular Formula
C20H32O4
Molecular Weight
336.500000
Exact Mass
336.230060
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
InChIKey
VNYSSYRCGWBHLG-AMOLWHMGSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.55
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
98.82
TPSA
77.76

LogP / Solubility

WLOGP
4.16
MLOGP
3.68
XLogP3
4.1
Consensus LogP
3.98
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.98
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)
-1.82

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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