CAS RN: 822-10-6
9(Z),11(Z)-Conjugated Linoleic Acid methyl ester
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.20250415 | 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS822-10-6
- Purity/Analytical Methods: >99.0%
822-10-6 / methyl octadeca-9,11-dienoate
Basic Information
CAS
822-10-6
Multi CAS
Yes
Molecular Formula
C19H34O2
Molecular Weight
294.500000
Exact Mass
294.255880
InChI
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-11H,3-7,12-18H2,1-2H3
InChIKey
KVIWYYOMPLJRMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.74
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
91.37
TPSA
26.3
LogP / Solubility
WLOGP
5.97
MLOGP
5.27
XLogP3
7.2
Consensus LogP
6.15
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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