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CAS 52462-31-4 Mesityleneruthenium(II) Chloride Dimer molecular structure lightbox
CAS RN: 52462-31-4

Mesityleneruthenium(II) Chloride Dimer

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260510 100mg In stock Shanghai Inquiry
Batchno.20260125 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250521 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260510 5g In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250919 100mg Out of stock 5-7 business days Inquiry
Batchno.20250422 250mg In stock Shandong Inquiry
  • Product code: ICTD5524
  • Purity/Analytical Methods: >97.0%(T)
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52462-31-4 / bis(dichlororuthenium);bis(1,3,5-trimethylbenzene)

Standard CAS: 52462-31-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52462-31-4
Multi CAS
Yes
Molecular Formula
C18H24CL4RU2
Molecular Weight
584.300000
Exact Mass
587.870030
InChI
InChI=1S/2C9H12.4ClH.2Ru/c2*1-7-4-8(2)6-9(3)5-7;;;;;;/h2*4-6H,1-3H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKey
BURZEBAWJUANFF-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.33
Molar refractivity
104.72
TPSA
0.0000

LogP / Solubility

WLOGP
7.98
MLOGP
7.07
XLogP3
7.98
Consensus LogP
7.68
Log S (ESOL)
-8.86
Class (ESOL)
Insoluble
Log S (Ali)
-10.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.08
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)
-0.62

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
2.5

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