CAS RN: 143292-98-2
5(S)-HPEPE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250111 | 100μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS143292-98-2
- Purity/Analytical Methods: >99.0%
143292-98-2 / (5S,6E,8Z,11Z,14Z,17Z)-5-hydroperoxyicosa-6,8,11,14,17-pentaenoic acid
Basic Information
CAS
143292-98-2
Multi CAS
No
Molecular Formula
C20H30O4
Molecular Weight
334.400000
Exact Mass
334.214409
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)OO
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
InChIKey
NKXYOIJDQPQELO-GHWNLOBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.45
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
98.83
TPSA
66.76
LogP / Solubility
WLOGP
5.46
MLOGP
4.82
XLogP3
4.6
Consensus LogP
4.96
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
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)
-0.88
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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