[email protected]
CAS 52490-94-5 Dichloro(p-cyMene)triphenylphosphinerutheniuM(II) dichloroMethane adduct, Min. 98% molecular structure lightbox
CAS RN: 52490-94-5

Dichloro(p-cyMene)triphenylphosphinerutheniuM(II) dichloroMethane adduct, Min. 98%

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260402 250mg In stock Shanghai Inquiry
Batchno.20260421 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260514 5g Out of stock Inquiry
  • Product code: SSC-159609
GET A QUOTE
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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 52490-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

52490-94-5 / dichloromethane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene;triphenylphosphane

Standard CAS: 52490-94-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52490-94-5
Multi CAS
Yes
Molecular Formula
C29H31CL4PRU
Molecular Weight
653.400000
Exact Mass
653.993139
InChI
InChI=1S/C18H15P.C10H14.CH2Cl2.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-4-9(3)5-7-10;2-1-3;;;/h1-15H;4-8H,1-3H3;1H2;2*1H;/q;;;;;+2/p-2
InChIKey
ZMCNSVXDEFGLMT-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
4
Molar refractivity
158.69
TPSA
0.0000

LogP / Solubility

WLOGP
9.36
MLOGP
8.29
XLogP3
9.36
Consensus LogP
9
Log S (ESOL)
-10.03
Class (ESOL)
Insoluble
Log S (Ali)
-11.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.16
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)
-0.06

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
3

Customers Also Viewed

Get In Touch

Contact Us