CAS RN: 75181-07-6
Pentamethylcyclopentadienyl zirconium trichloride
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.20260619 | 25g | Out of stock | Inquiry |
- Product code: starshine_CAS75181-07-6
- Purity/Analytical Methods: >99.0%
75181-07-6 / 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;trichlorozirconium
Basic Information
CAS
75181-07-6
Multi CAS
Yes
Molecular Formula
C10H15CL3ZR
Molecular Weight
332.800000
Exact Mass
329.928632
InChI
InChI=1S/C10H15.3ClH.Zr/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H;/q-1;;;;+3/p-3
InChIKey
XZRIJZMMTDVZIR-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
63.28
TPSA
0.0000
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
5.01
Consensus LogP
4.82
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
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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