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CAS 107656-14-4 9(R)-HETE molecular structure lightbox
CAS RN: 107656-14-4

9(R)-HETE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 25μg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS107656-14-4
  • Purity/Analytical Methods: >99.0%
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107656-14-4 / (5Z,7E,9R,11Z,14Z)-9-hydroxyicosa-5,7,11,14-tetraenoic acid

(?)9-HETE | SCHEMBL1480333 | HEA65614

Standard CAS: 107656-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
107656-14-4
Multi CAS
Yes
Molecular Formula
C20H32O3
Molecular Weight
320.500000
Exact Mass
320.235145
SMILES
CCCCC/C=C\C/C=C\C[C@H](/C=C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+/t19-/m1/s1
InChIKey
KATOYYZUTNAWSA-AZFZJQGOSA-N
Synonyms
(?)9-HETE SCHEMBL1480333 HEA65614

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
5.2
Consensus LogP
4.99
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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