CAS RN: 2738-19-4
2-Methyl-2-hexene
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.20260606 | 250mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTM0526
- Purity/Analytical Methods: >97.0%(GC)
2738-19-4 / 2-methylhex-2-ene
Basic Information
CAS
2738-19-4
Multi CAS
No
Molecular Formula
C7H14
Molecular Weight
98.190000
Exact Mass
98.109550
SMILES
CCCC=C(C)C
InChI
InChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3
InChIKey
BWEKDYGHDCHWEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.71
Rotatable bonds
2
Molar refractivity
34.34
TPSA
0.0000
LogP / Solubility
WLOGP
2.75
MLOGP
2.41
XLogP3
3.3
Consensus LogP
2.82
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-1.36
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
