CAS RN: 50767-79-8
Z,E-9,11-TETRADECADIENYL ACETATE
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.20260525 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS50767-79-8
- Purity/Analytical Methods: >99.0%
50767-79-8 / tetradeca-9,11-dienyl acetate
Basic Information
CAS
50767-79-8
Multi CAS
Yes
Molecular Formula
C16H28O2
Molecular Weight
252.390000
Exact Mass
252.208930
InChI
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-
InChIKey
RFEQLTBBKNKGGJ-DEQVHDEQSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.69
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
77.52
TPSA
26.3
LogP / Solubility
WLOGP
4.8
MLOGP
4.23
XLogP3
5.4
Consensus LogP
4.81
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
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)
-0.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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