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CAS 71030-36-9 15(S)-HETE SOLUTION molecular structure lightbox
CAS RN: 71030-36-9

15(S)-HETE SOLUTION

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 50μg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS71030-36-9
  • Purity/Analytical Methods: >99.0%
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71030-36-9 / 15-hydroxyicosa-5,8,11,13-tetraenoic acid

Standard CAS: 71030-36-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71030-36-9
Multi CAS
Yes
Molecular Formula
C20H32O3
Molecular Weight
320.500000
Exact Mass
320.235145
InChI
InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
InChIKey
JSFATNQSLKRBCI-USWFWKISSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.55
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.43
TPSA
57.53

LogP / Solubility

WLOGP
5.19
MLOGP
4.58
XLogP3
5.1
Consensus LogP
4.96
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
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
No
Log Kp (skin permeation)
-0.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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