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CAS 944450-50-4 Diacetato{(R)-(+)-5,5′-bis[di(3,5-xylyl)phosphino]-4,4′-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(R)-dm-segphos] molecular structure lightbox
CAS RN: 944450-50-4

Diacetato{(R)-(+)-5,5′-bis[di(3,5-xylyl)phosphino]-4,4′-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(R)-dm-segphos]

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250604 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-209285
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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 944450-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

944450-50-4 / acetic acid;[4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium

Standard CAS: 944450-50-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944450-50-4
Multi CAS
Yes
Molecular Formula
C50H52O8P2Ru
Molecular Weight
944.000000
Exact Mass
944.218083
InChI
InChI=1S/C46H44O4P2.2C2H4O2.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;2*1-2(3)4;/h9-24H,25-26H2,1-8H3;2*1H3,(H,3,4);
InChIKey
DQDVNUGYAGPIFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
36
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
246.05
TPSA
111.52

LogP / Solubility

WLOGP
8.97
MLOGP
7.99
XLogP3
8.97
Consensus LogP
8.64
Log S (ESOL)
-11.32
Class (ESOL)
Insoluble
Log S (Ali)
-13.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11

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
6.5

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