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CAS 92693-02-2 15(S)-HETRE molecular structure lightbox
CAS RN: 92693-02-2

15(S)-HETRE

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 100μg Out of stock Inquiry
Batchno.20250625 25μg In stock Inquiry
Batchno.20260218 50μg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260604 25μg / 100μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS92693-02-2
  • Purity/Analytical Methods: >99.0%
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92693-02-2 / 15-hydroxyicosa-8,11,13-trienoic acid

Standard CAS: 92693-02-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92693-02-2
Multi CAS
Yes
Molecular Formula
C20H34O3
Molecular Weight
322.500000
Exact Mass
322.250795
InChI
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/t19-/m0/s1
InChIKey
IUKXMNDGTWTNTP-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.52
TPSA
57.53

LogP / Solubility

WLOGP
5.41
MLOGP
4.78
XLogP3
5.7
Consensus LogP
5.3
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.05
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)
-0.85

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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