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CAS 944451-10-9 [NH2Me2][(RuCl((S)-xylbinap))2(μ-Cl)3] molecular structure lightbox
CAS RN: 944451-10-9

[NH2Me2][(RuCl((S)-xylbinap))2(μ-Cl)3]

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260211 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 100mg Out of stock Inquiry
  • Product code: SSC-209287
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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 944451-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

944451-10-9 / bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);dimethylazanium;bis(ruthenium(2+));pentachloride

Standard CAS: 944451-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
944451-10-9
Multi CAS
Yes
Molecular Formula
C106H104CL5NP4RU2
Molecular Weight
1895.300000
Exact Mass
1898.366360
InChI
InChI=1S/2C52H48P2.C2H7N.5ClH.2Ru/c2*1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-3-2;;;;;;;/h2*9-32H,1-8H3;3H,1-2H3;5*1H;;/q;;;;;;;;2*+2/p-4
InChIKey
KEZRTMOWSKGUPV-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
118
Aromatic heavy atom count
88
Fraction Csp3
0.17
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
1
Molar refractivity
498.17
TPSA
16.61

LogP / Solubility

WLOGP
7.11
MLOGP
6.46
XLogP3
7.11
Consensus LogP
6.89
Log S (ESOL)
-15.7
Class (ESOL)
Insoluble
Log S (Ali)
-20.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.56
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)
-9.23

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
10

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