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CAS 944451-28-9 [RuCl(p-cymene)((R)-segphos®)]Cl molecular structure lightbox
CAS RN: 944451-28-9

[RuCl(p-cymene)((R)-segphos®)]Cl

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260405 200mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 100mg In stock Shanghai Inquiry
Batchno.20250115 1g In stock Shanghai, Wuhan Inquiry
Batchno.20250729 250mg In stock Shanghai Inquiry
  • Product code: SSC-209291
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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 944451-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

944451-28-9 / [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride

Standard CAS: 944451-28-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944451-28-9
Multi CAS
Yes
Molecular Formula
C48H42CL2O4P2RU
Molecular Weight
916.800000
Exact Mass
916.097880
InChI
InChI=1S/C38H28O4P2.C10H14.2ClH.Ru/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-8(2)10-6-4-9(3)5-7-10;;;/h1-24H,25-26H2;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
HZLSGDCLBWZKRB-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
42
Fraction Csp3
0.12
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
226.8
TPSA
36.92

LogP / Solubility

WLOGP
3.45
MLOGP
3.12
XLogP3
3.45
Consensus LogP
3.34
Log S (ESOL)
-7.72
Class (ESOL)
Insoluble
Log S (Ali)
-9.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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