CAS RN: 147831-75-2
CYCLOPENTADIENYL(P-CYMENE)RUTHENIUM (II) HEXAFLUOROPHOSPHATE, MIN. 98
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250513 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20260615 | 1g | Out of stock | Inquiry | ||
| Batchno.20250501 | 250mg | In stock | Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20250901 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS147831-75-2
- Purity/Analytical Methods: >99.0%
147831-75-2 / cyclopenta-1,3-diene;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);hexafluorophosphate
Basic Information
CAS
147831-75-2
Multi CAS
No
Molecular Formula
C15H19F6PRu
Molecular Weight
445.300000
Exact Mass
446.017197
SMILES
CC1=CC=C(C=C1)C(C)C.[CH-]1C=CC=C1.F[P-](F)(F)(F)(F)F.[Ru+2]
InChI
InChI=1S/C10H14.C5H5.F6P.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-8H,1-3H3;1-5H;;/q;2*-1;+2
InChIKey
XNXXUUTVNMJHCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
8
Molar refractivity
80.87
TPSA
0.0000
LogP / Solubility
WLOGP
7.9
MLOGP
6.98
XLogP3
7.9
Consensus LogP
7.59
Log S (ESOL)
-7.87
Class (ESOL)
Insoluble
Log S (Ali)
-8.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.18
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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