![CAS 944451-33-6 [RuCl(p-cymene)((S)-dtbm-segphos®)]Cl molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/r0159-jpgcontextbwfzdgvyfhjvb3r8mza5njz8aw1hz2uvanblz3xon2mvagi3lzg5mzixotmwnzuymzavujaxntkuanbnfdg5odkwy2m1mwjkmtawy2m2zjq3ngrhyzywnjjlztg1zdhmytjmnwvknme3mzhlztc5y2q3ngexymiznmzkzty.jpeg)
CAS RN: 944451-33-6
[RuCl(p-cymene)((S)-dtbm-segphos®)]Cl
Product Availability
Available package options are listed below.
2 package records2 with current stock
- Product code: SSC-209295
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: >98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
944451-33-6 / [4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene
Basic Information
CAS
944451-33-6
Multi CAS
Yes
Molecular Formula
C84H114CL2O8P2RU
Molecular Weight
1485.700000
Exact Mass
1484.640940
InChI
InChI=1S/C74H100O8P2.C10H14.2ClH.Ru/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24;1-8(2)10-6-4-9(3)5-7-10;;;/h29-40H,41-42H2,1-28H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKey
MYYXUILRYSITRR-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
97
Aromatic heavy atom count
42
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
8
Molar refractivity
414.32
TPSA
73.84
LogP / Solubility
WLOGP
21.24
MLOGP
18.84
XLogP3
21.24
Consensus LogP
20.44
Log S (ESOL)
-21.96
Class (ESOL)
Insoluble
Log S (Ali)
-27.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-28.38
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)
3.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
Applications of CAS 944451-33-6
This compound is commonly used in catalysis and inorganic chemistry research, metal and coordination compound chemistry, organic synthesis and chemical building blocks, laboratory reagent and synthesis applications, general chemistry research and laboratory applications. Starshine Chemical supplies CAS 944451-33-6 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | [4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene |
Storage & Handling
Storage: Store under inert gas. Avoid: Air Sensitive. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
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