CAS RN: 133519-04-7
Chiralyst Ru802
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-040354
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
- Available purity: >98%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 1g | >98% | 2 In Stock | Shenzhen | Inquiry |
133519-04-7 / [2-(2-diphenylphosphaniumyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphanium;ruthenium(2+);diacetate
Basic Information
CAS
133519-04-7
Multi CAS
No
Molecular Formula
C42H40O6P2Ru+2
Molecular Weight
803.800000
Exact Mass
804.134353
SMILES
CC(=O)[O-].CC(=O)[O-].COC1=C(C(=CC=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4[PH+](C5=CC=CC=C5)C6=CC=CC=C6)OC.[Ru+2]
InChI
InChI=1S/C38H32O2P2.2C2H4O2.Ru/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*1-2(3)4;/h3-28H,1-2H3;2*1H3,(H,3,4);/q;;;+2
InChIKey
UKUGFDXXBDLOIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
36
Fraction Csp3
0.1
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
206.55
TPSA
98.72
LogP / Solubility
WLOGP
3.86
MLOGP
3.47
XLogP3
3.86
Consensus LogP
3.73
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.88
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
5.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
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