![CAS 822-96-8 5-methylbicyclo[2.2.1]hept-2-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/822-96-8.gif)
CAS RN: 822-96-8
5-methylbicyclo[2.2.1]hept-2-ene
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.20260104 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS822-96-8
- Purity/Analytical Methods: >99.0%
822-96-8 / 5-methylbicyclo[2.2.1]hept-2-ene
Basic Information
CAS
822-96-8
Multi CAS
Yes
Molecular Formula
C8H12
Molecular Weight
108.180000
Exact Mass
108.093900
InChI
InChI=1S/C8H12/c1-6-4-7-2-3-8(6)5-7/h2-3,6-8H,4-5H2,1H3
InChIKey
PCBPVYHMZBWMAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Molar refractivity
34.52
TPSA
0.0000
LogP / Solubility
WLOGP
2.22
MLOGP
1.94
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-1.8
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
5
![CAS 822-98-0 bicyclo[2.2.1]heptan-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/822-98-0.gif)
