![CAS 20479-00-9 2,6,10,10-Tetramethylbicyclo[7.2.0]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20479-00-9.gif)
CAS RN: 20479-00-9
2,6,10,10-Tetramethylbicyclo[7.2.0]undecane
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.20260525 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20479-00-9
- Purity/Analytical Methods: >99.0%
20479-00-9 / 2,6,10,10-tetramethylbicyclo[7.2.0]undecane
Basic Information
CAS
20479-00-9
Multi CAS
No
Molecular Formula
C15H28
Molecular Weight
208.380000
Exact Mass
208.219101
SMILES
CC1CCCC(C2CC(C2CC1)(C)C)C
InChI
InChI=1S/C15H28/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h11-14H,5-10H2,1-4H3
InChIKey
SITKOPDZOGHVLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Molar refractivity
66.79
TPSA
0.0000
LogP / Solubility
WLOGP
4.89
MLOGP
4.3
XLogP3
6.3
Consensus LogP
5.16
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-0.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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