CAS RN: 14564-35-3
DICHLORODICARBONYLBIS(TRIPHENYLPHOSPHINE)RUTHENIUM (II)
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-056908
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞98% | 0 Out of Stock | Hong Kong | Inquiry |
14564-35-3 / carbon monoxide;dichlororuthenium;bis(triphenylphosphane)
Basic Information
CAS
14564-35-3
Multi CAS
No
Molecular Formula
C38H30Cl2O2P2Ru
Molecular Weight
752.600000
Exact Mass
752.014150
SMILES
[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]Cl
InChI
InChI=1S/2C18H15P.2CO.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;/h2*1-15H;;;2*1H;/q;;;;;;+2/p-2
InChIKey
PXURRFCLQDNZOY-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
189.86
TPSA
39.8
LogP / Solubility
WLOGP
8.19
MLOGP
7.27
XLogP3
8.19
Consensus LogP
7.88
Log S (ESOL)
-9.86
Class (ESOL)
Insoluble
Log S (Ali)
-11.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
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
5.5
