CAS RN: 68193-40-8
DIMETHYLBIS(T-BUTYLCYCLOPENTADIENYL)ZIRCONIUM
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250922 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS68193-40-8
- Purity/Analytical Methods: >99.0%
68193-40-8 / bis(2-tert-butylcyclopenta-1,3-diene);carbanide;zirconium(4+)
Basic Information
CAS
68193-40-8
Multi CAS
Yes
Molecular Formula
C20H32Zr
Molecular Weight
363.700000
Exact Mass
362.155100
InChI
InChI=1S/2C9H13.2CH3.Zr/c2*1-9(2,3)8-6-4-5-7-8;;;/h2*4,6H,5H2,1-3H3;2*1H3;/q4*-1;+4
InChIKey
FKMWHNNARBSJEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
92.76
TPSA
0.0000
LogP / Solubility
WLOGP
6.34
MLOGP
5.6
XLogP3
6.34
Consensus LogP
6.09
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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