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CAS 944451-31-4 [RuCl(p-cymene)((S)-dm-segphos®)]Cl molecular structure lightbox
CAS RN: 944451-31-4

[RuCl(p-cymene)((S)-dm-segphos®)]Cl

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 100mg In stock Inquiry
Batchno.20250401 1g In stock Inquiry
Batchno.20251030 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 100mg In stock Shanghai Inquiry
Batchno.20250802 1g In stock Shanghai Inquiry
Batchno.20260214 250mg In stock Shanghai Inquiry
  • Product code: SSC-209294
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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: 0.1g
  • 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 944451-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g 95%+ 0 Out of Stock Shenzhen Inquiry

944451-31-4 / [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene

Standard CAS: 944451-31-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944451-31-4
Multi CAS
Yes
Molecular Formula
C56H58CL2O4P2RU
Molecular Weight
1029.000000
Exact Mass
1028.223080
InChI
InChI=1S/C46H44O4P2.C10H14.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-8(2)10-6-4-9(3)5-7-10;;;/h9-24H,25-26H2,1-8H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
LLNJPFQWQJQPEH-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
65
Aromatic heavy atom count
42
Fraction Csp3
0.25
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
276.41
TPSA
36.92

LogP / Solubility

WLOGP
13.29
MLOGP
11.79
XLogP3
13.29
Consensus LogP
12.79
Log S (ESOL)
-14.54
Class (ESOL)
Insoluble
Log S (Ali)
-17.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.34
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)
0.44

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

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