CAS RN: 31654-77-0
9E,12Z-Tetradecadien-1-yl-acetate
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.20251225 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS31654-77-0
- Purity/Analytical Methods: >99.0%
31654-77-0 / tetradeca-9,12-dienyl acetate
Basic Information
CAS
31654-77-0
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/h3-4,6-7H,5,8-15H2,1-2H3/b4-3-,7-6+
InChIKey
ZZGJZGSVLNSDPG-WWVFNRLHSA-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
5.3
Consensus LogP
4.78
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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