CAS RN: 3404-75-9
3-Methyl-2-heptene (cis- and trans- mixture)
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.20250924 | 100μl | Out of stock | 30 business days | Inquiry |
- Product code: ICTM0989
- Purity/Analytical Methods: >95.0%(GC)
3404-75-9 / 3-methylhept-2-ene
Basic Information
CAS
3404-75-9
Multi CAS
Yes
Molecular Formula
C8H16
Molecular Weight
112.210000
Exact Mass
112.125201
InChI
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h5H,4,6-7H2,1-3H3
InChIKey
OFKLSPUVNMOIJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
Molar refractivity
38.96
TPSA
0.0000
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
3.8
Consensus LogP
3.23
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-1.17
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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- Purity/Analytical method: >95.0%(GC)
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