CAS RN: 890955-25-6
9(S)-HODE-D4
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.20250702 | 50μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS890955-25-6
- Purity/Analytical Methods: >99.0%
890955-25-6 / (9S,10E,12Z)-9,10,12,13-tetradeuterio-9-hydroxyoctadeca-10,12-dienoic acid
Basic Information
CAS
890955-25-6
Multi CAS
No
Molecular Formula
C18H32O3
Molecular Weight
300.500000
Exact Mass
300.260252
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1/i6D,8D,14D,17D
InChIKey
NPDSHTNEKLQQIJ-VKLCZNAWSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.38
TPSA
57.53
LogP / Solubility
WLOGP
4.86
MLOGP
4.28
XLogP3
5.3
Consensus LogP
4.81
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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