CAS RN: 26472-00-4
METHYLCYCLOPENTADIENE DIMER
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.20250429 | 250ml / 1L / 5L | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26472-00-4
- Purity/Analytical Methods: >99.0%
26472-00-4 / 3,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene
Basic Information
CAS
26472-00-4
Multi CAS
No
Molecular Formula
C12H16
Molecular Weight
160.250000
Exact Mass
160.125201
SMILES
CC1=CCC2C1C3CC2C=C3C
InChI
InChI=1S/C12H16/c1-7-3-4-10-9-5-8(2)11(6-9)12(7)10/h3,5,9-12H,4,6H2,1-2H3
InChIKey
NUAKIPFPYYHNLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Molar refractivity
50.71
TPSA
0.0000
LogP / Solubility
WLOGP
3.16
MLOGP
2.78
XLogP3
2.3
Consensus LogP
2.75
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-1.45
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
5.5
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