CAS RN: 29623-28-7
13(S)-HYDROXYOCTADECA-9Z,11E-DIENOIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 100μg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS29623-28-7
- Purity/Analytical Methods: >99.0%
29623-28-7 / 13-hydroxyoctadeca-9,11-dienoic acid
Basic Information
CAS
29623-28-7
Multi CAS
Yes
Molecular Formula
C18H32O3
Molecular Weight
296.400000
Exact Mass
296.235145
InChI
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)
InChIKey
HNICUWMFWZBIFP-UHFFFAOYSA-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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