CAS RN: 2565-83-5
(Z)-1-methoxy-3,7-dimethylocta-2,6-diene
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.20250323 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2565-83-5
- Purity/Analytical Methods: >99.0%
2565-83-5 / 1-methoxy-3,7-dimethylocta-2,6-diene
Basic Information
CAS
2565-83-5
Multi CAS
No
Molecular Formula
C11H20O
Molecular Weight
168.280000
Exact Mass
168.151415
SMILES
CC(=CCCC(=CCOC)C)C
InChI
InChI=1S/C11H20O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKey
AVJMJMPVWWWELJ-FLIBITNWSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
54.3
TPSA
9.23
LogP / Solubility
WLOGP
3.33
MLOGP
2.92
XLogP3
3.4
Consensus LogP
3.22
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-1.39
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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