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CAS 944451-30-3 [RuCl(p-cymene)((R)-dm-segphos®)]Cl molecular structure lightbox
CAS RN: 944451-30-3

[RuCl(p-cymene)((R)-dm-segphos®)]Cl

  • Product code: SSC-209293
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 944451-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

944451-30-3 / [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: 944451-30-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944451-30-3
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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