CAS RN: 42714-70-5
1-Butyl-1-octene
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.20250915 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42714-70-5
- Purity/Analytical Methods: >99.0%
42714-70-5 / dodec-5-ene
Basic Information
CAS
42714-70-5
Multi CAS
Yes
Molecular Formula
C12H24
Molecular Weight
168.320000
Exact Mass
168.187801
InChI
InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h9,11H,3-8,10,12H2,1-2H3
InChIKey
ZOKYTRIEIDWYSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
8
Molar refractivity
57.42
TPSA
0.0000
LogP / Solubility
WLOGP
4.7
MLOGP
4.14
XLogP3
5.8
Consensus LogP
4.88
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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)
-0.41
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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