CAS RN: 145381-23-3
DICHLORO(P-CYMENE)TRICYCLOHEXYLPHOSPHINERUTHENIUM (II)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS145381-23-3
- Purity/Analytical Methods: >99.0%
145381-23-3 / dichlororuthenium;1-methyl-4-propan-2-ylbenzene;tricyclohexylphosphane
Basic Information
CAS
145381-23-3
Multi CAS
No
Molecular Formula
C28H47Cl2PRu
Molecular Weight
586.600000
Exact Mass
586.183584
SMILES
CC1=CC=C(C=C1)C(C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.Cl[Ru]Cl
InChI
InChI=1S/C18H33P.C10H14.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-4-9(3)5-7-10;;;/h16-18H,1-15H2;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
SKQOOGIJMPFDJH-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.79
Rotatable bonds
4
Molar refractivity
144.51
TPSA
0.0000
LogP / Solubility
WLOGP
10.96
MLOGP
9.69
XLogP3
10.96
Consensus LogP
10.54
Log S (ESOL)
-10.26
Class (ESOL)
Insoluble
Log S (Ali)
-12.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.05
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)
1.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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