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CAS 346457-41-8 [NH2Me2][(RuCl((R)-segphos®))2(μ-Cl)3] molecular structure lightbox
CAS RN: 346457-41-8

[NH2Me2][(RuCl((R)-segphos®))2(μ-Cl)3]

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-141187
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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 346457-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

346457-41-8 / dimethylazanium;bis([4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane);bis(ruthenium(2+));pentachloride

Standard CAS: 346457-41-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
346457-41-8
Multi CAS
Yes
Molecular Formula
C78H64CL5NO8P4RU2
Molecular Weight
1646.600000
Exact Mass
1649.009320
InChI
InChI=1S/2C38H28O4P2.C2H7N.5ClH.2Ru/c2*1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;1-3-2;;;;;;;/h2*1-24H,25-26H2;3H,1-2H3;5*1H;;/q;;;;;;;;2*+2/p-4
InChIKey
RSZXAODKXNGMHV-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
98
Aromatic heavy atom count
72
Fraction Csp3
0.08
Rotatable bonds
14
H-bond acceptors
8
H-bond donors
1
Molar refractivity
376.85
TPSA
90.45

LogP / Solubility

WLOGP
-3.52
MLOGP
-2.92
XLogP3
-3.52
Consensus LogP
-3.32
Log S (ESOL)
-7.45
Class (ESOL)
Insoluble
Log S (Ali)
-10.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-15.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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