CAS RN: 50767-78-7
(E)-dodeca-9,11-dienyl 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.20251019 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS50767-78-7
- Purity/Analytical Methods: >99.0%
50767-78-7 / dodeca-9,11-dienyl acetate
Basic Information
CAS
50767-78-7
Multi CAS
Yes
Molecular Formula
C14H24O2
Molecular Weight
224.340000
Exact Mass
224.177630
InChI
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-5H,1,6-13H2,2H3/b5-4+
InChIKey
ARPQLVHCERGNAB-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.64
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
68.29
TPSA
26.3
LogP / Solubility
WLOGP
4.02
MLOGP
3.54
XLogP3
4.7
Consensus LogP
4.09
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
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)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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