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CAS 194659-03-5 3-ME-2-BUTENYLIDENEBIS(TRICYCLOHEXYLPHOSPHINE)DICHLORORUTHE. molecular structure lightbox
CAS RN: 194659-03-5

3-ME-2-BUTENYLIDENEBIS(TRICYCLOHEXYLPHOSPHINE)DICHLORORUTHE.

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 100mg In stock Shanghai Inquiry
Batchno.20260325 1g In stock Shanghai Inquiry
Batchno.20250218 250mg In stock Shanghai Inquiry
  • Product code: SSC-091820
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 194659-03-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

194659-03-5 / dichloro(3-methylbut-2-enylidene)ruthenium;bis(tricyclohexylphosphane)

Standard CAS: 194659-03-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
194659-03-5
Multi CAS
No
Molecular Formula
C41H74Cl2P2Ru
Molecular Weight
800.900000
Exact Mass
800.368622
SMILES
CC(=CC=[Ru](Cl)Cl)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/2C18H33P.C5H8.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(2)3;;;/h2*16-18H,1-15H2;1,4H,2-3H3;2*1H;/q;;;;;+2/p-2
InChIKey
INCDKKABOVOFIV-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.93
Rotatable bonds
7
Molar refractivity
212.28
TPSA
0.0000

LogP / Solubility

WLOGP
15.61
MLOGP
13.81
XLogP3
15.61
Consensus LogP
15.01
Log S (ESOL)
-14.18
Class (ESOL)
Insoluble
Log S (Ali)
-17.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.67
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)
3.48

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
5.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H252 (35.5%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures] H302+H312+H332 (37.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (37.1%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (37.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement Codes
P210, P235, P240, P241, 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, P370+P378, P407, P410, P413, P420, and P501

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