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CAS 183509-25-3 17(S)-HETE molecular structure lightbox
CAS RN: 183509-25-3

17(S)-HETE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS183509-25-3
  • Purity/Analytical Methods: >99.0%
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183509-25-3 / (5Z,8Z,11Z,14Z,17S)-17-hydroxyicosa-5,8,11,14-tetraenoic acid

Standard CAS: 183509-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183509-25-3
Multi CAS
No
Molecular Formula
C20H32O3
Molecular Weight
320.500000
Exact Mass
320.235145
SMILES
CCC[C@@H](C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/b5-3-,8-6-,11-9-,14-12-/t19-/m0/s1
InChIKey
OPPIPPRXLIDJKN-LNRPRRCASA-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
4.8
Consensus LogP
4.86
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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