![CAS 130004-33-0 [RuCl(p-cymene)((S)-binap)]Cl molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/r0147-jpgcontextbwfzdgvyfhjvb3r8mze4nzl8aw1hz2uvanblz3xoyjgvagvilzg5mzixoti0mtk4nzavujaxndcuanbnfdbmmtrjmjq5zgq5njm2mdhkotk3nzg4odg2ymvmmtiznmrmn2m2ntlmyjnhnzhhm2njm2i2zwy0odjlnmninwm.jpeg)
CAS RN: 130004-33-0
[RuCl(p-cymene)((S)-binap)]Cl
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250406 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-036751
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
130004-33-0 / dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene
Basic Information
CAS
130004-33-0
Multi CAS
No
Molecular Formula
C54H46Cl2P2Ru
Molecular Weight
928.900000
Exact Mass
928.149521
SMILES
CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
InChI
InChI=1S/C44H32P2.C10H14.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-8(2)10-6-4-9(3)5-7-10;;;/h1-32H;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
WNHLGYRPKARUHY-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
50
Fraction Csp3
0.07
Rotatable bonds
8
Molar refractivity
261.28
TPSA
0.0000
LogP / Solubility
WLOGP
13.67
MLOGP
12.12
XLogP3
13.67
Consensus LogP
13.15
Log S (ESOL)
-14.31
Class (ESOL)
Insoluble
Log S (Ali)
-17.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18
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)
1.32
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
Safety & Transport
Pictogram(s)
Flammable
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H228 (32.4%): Flammable solid [Danger Flammable solids]
H251 (32.4%): Self-heating; may catch fire [Danger Self-heating substances and mixtures]
H290 (32.4%): May be corrosive to metals [Warning Corrosive to Metals]
H302+H312+H332 (32.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
H302 (33.8%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P210, P234, P235, P240, P241, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P390, P403+P233, P405, P406, P407, P410, P413, P420, and P501
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501
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