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CAS 918871-44-0 ruthenium, dichloro-[[2-isopropoxy-5-(n-dimethylamino-sulfonyl)phenyl]methylene](tricyclohexylphosphine) molecular structure lightbox
CAS RN: 918871-44-0

ruthenium, dichloro-[[2-isopropoxy-5-(n-dimethylamino-sulfonyl)phenyl]methylene](tricyclohexylphosphine)

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250511 2g Out of stock 8-10 business days Inquiry
Batchno.20250407 500mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250416 1g In stock Shanghai Inquiry
Batchno.20250721 250mg In stock Shanghai Inquiry
Batchno.20250216 5g In stock Shanghai Inquiry
  • Product code: SSC-205368
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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: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 918871-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Beijing Inquiry
0.25g >98% 1 In Stock Shenzhen Inquiry
1g >98% 1 In Stock Shenzhen Inquiry

918871-44-0 / dichloro-[[5-(dimethylsulfamoyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium;tricyclohexylphosphane

Standard CAS: 918871-44-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
918871-44-0
Multi CAS
Yes
Molecular Formula
C30H50CL2NO3PRUS
Molecular Weight
707.700000
Exact Mass
707.166948
InChI
InChI=1S/C18H33P.C12H17NO3S.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9(2)16-12-7-6-11(8-10(12)3)17(14,15)13(4)5;;;/h16-18H,1-15H2;3,6-9H,1-2,4-5H3;2*1H;/q;;;;+2/p-2
InChIKey
GQGVRAHMQZBHRC-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.77
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
167.49
TPSA
46.61

LogP / Solubility

WLOGP
9.27
MLOGP
8.22
XLogP3
9.27
Consensus LogP
8.92
Log S (ESOL)
-9.65
Class (ESOL)
Insoluble
Log S (Ali)
-12.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.91
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.46

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
4.5

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