CAS RN: 7492-66-2
1,1-Diethoxy-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.20250305 | 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7492-66-2
- Purity/Analytical Methods: >99.0%
7492-66-2 / 1,1-diethoxy-3,7-dimethylocta-2,6-diene
Basic Information
CAS
7492-66-2
Multi CAS
Yes
Molecular Formula
C14H26O2
Molecular Weight
226.350000
Exact Mass
226.193280
InChI
InChI=1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
InChIKey
NTXGFKWLJFHGGJ-ACCUITESSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.71
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
69.46
TPSA
18.46
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
4.2
Consensus LogP
3.96
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
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)
-1.21
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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