CAS RN: 250220-36-1
(3-Phenyl-1H-inden-1-ylidene)bis(tricyclohexylphosphine)ruthenium(II) Dichloride
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-120419
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
250220-36-1 / dichloro-(3-phenylinden-1-ylidene)ruthenium;bis(tricyclohexylphosphane)
Basic Information
CAS
250220-36-1
Multi CAS
No
Molecular Formula
C51H76Cl2P2Ru
Molecular Weight
923.100000
Exact Mass
922.384272
SMILES
C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1=CC=C(C=C1)C2=CC(=[Ru](Cl)Cl)C3=CC=CC=C32
InChI
InChI=1S/2C18H33P.C15H10.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;/h2*16-18H,1-15H2;1-9,11H;2*1H;/q;;;;;+2/p-2
InChIKey
UZAFZWUWHHFWOK-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
7
Molar refractivity
250.86
TPSA
0.0000
LogP / Solubility
WLOGP
17.51
MLOGP
15.5
XLogP3
17.51
Consensus LogP
16.84
Log S (ESOL)
-16.29
Class (ESOL)
Insoluble
Log S (Ali)
-19.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.03
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)
4.08
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
7
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