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CAS 301224-40-8 (1,3-BIS-(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE)DICHLORO(O-ISOPROPOXYPHENYLMETHYLENE)RUTHENIUM molecular structure lightbox
CAS RN: 301224-40-8

(1,3-BIS-(2,4,6-TRIMETHYLPHENYL)-2-IMIDAZOLIDINYLIDENE)DICHLORO(O-ISOPROPOXYPHENYLMETHYLENE)RUTHENIUM

  • Product code: SSC-133791
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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, 5g, 10g, 25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 301224-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Beijing Inquiry
0.25g >97% 3 In Stock Beijing Inquiry
5g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

301224-40-8 / [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium

Standard CAS: 301224-40-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
301224-40-8
Multi CAS
Yes
Molecular Formula
C31H38CL2N2ORU
Molecular Weight
626.600000
Exact Mass
626.140460
InChI
InChI=1S/C21H26N2.C10H12O.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-8(2)11-10-7-5-4-6-9(10)3;;;/h9-12H,7-8H2,1-6H3;3-8H,1-2H3;2*1H;/q;;;;+2/p-2
InChIKey
ZRPFJAPZDXQHSM-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
160.08
TPSA
15.71

LogP / Solubility

WLOGP
8.05
MLOGP
7.14
XLogP3
8.05
Consensus LogP
7.75
Log S (ESOL)
-8.83
Class (ESOL)
Insoluble
Log S (Ali)
-10.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.01
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

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