CAS RN: 29774-12-7
9(S)-HPODE
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.20250809 | 0.1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29774-12-7
- Purity/Analytical Methods: >99.0%
29774-12-7 / 9-hydroperoxyoctadeca-10,12-dienoic acid
Basic Information
CAS
29774-12-7
Multi CAS
Yes
Molecular Formula
C18H32O4
Molecular Weight
312.400000
Exact Mass
312.230060
InChI
InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)
InChIKey
JGUNZIWGNMQSBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.72
Rotatable bonds
15
H-bond acceptors
3
H-bond donors
2
Molar refractivity
89.88
TPSA
66.76
LogP / Solubility
WLOGP
5.35
MLOGP
4.72
XLogP3
5.4
Consensus LogP
5.16
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.93
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)
-0.83
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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