CAS RN: 5056-17-7
(E,E,E)-2,7-dimethylocta-2,4,6-trienedial
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.20260614 | 5g | In stock | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS5056-17-7
- Purity/Analytical Methods: >99.0%
5056-17-7 / 2,7-dimethylocta-2,4,6-trienedial
Basic Information
CAS
5056-17-7
Multi CAS
Yes
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
InChI
InChI=1S/C10H12O2/c1-9(7-11)5-3-4-6-10(2)8-12/h3-8H,1-2H3/b4-3+,9-5+,10-6+
InChIKey
AYODHZHFDRRQEZ-XLKYRCCQSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
48.78
TPSA
34.14
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.5
Consensus LogP
1.65
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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