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CAS 944451-25-6 [RuCl(p-cymene)((S)-xylbinap)]Cl molecular structure lightbox
CAS RN: 944451-25-6

[RuCl(p-cymene)((S)-xylbinap)]Cl

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 100mg In stock Shanghai Inquiry
Batchno.20250128 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251121 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250603 5g Out of stock Inquiry
  • Product code: SSC-209290
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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: >97%
  • 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 944451-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

944451-25-6 / [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;chlororuthenium(1+);1-methyl-4-propan-2-ylbenzene;chloride

Standard CAS: 944451-25-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944451-25-6
Multi CAS
Yes
Molecular Formula
C62H62CL2P2RU
Molecular Weight
1041.100000
Exact Mass
1040.274722
InChI
InChI=1S/C52H48P2.C10H14.2ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-8(2)10-6-4-9(3)5-7-10;;;/h9-32H,1-8H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
CBZXDZCPCDMKJU-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
50
Fraction Csp3
0.19
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
293.32
TPSA
0.0000

LogP / Solubility

WLOGP
12.45
MLOGP
11.06
XLogP3
12.45
Consensus LogP
11.99
Log S (ESOL)
-14.16
Class (ESOL)
Insoluble
Log S (Ali)
-17.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.72
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)
-0.23

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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