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CAS 944451-24-5 [RuCl(p-cymene)((R)-xylbinap)]Cl molecular structure lightbox
CAS RN: 944451-24-5

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 200mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-209289
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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 944451-24-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

944451-24-5 / [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: 944451-24-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944451-24-5
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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