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CAS 99604-67-8 TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM (I) HEXAFLUOROPHOSPHATE molecular structure lightbox
CAS RN: 99604-67-8

TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM (I) HEXAFLUOROPHOSPHATE

Product Availability

Choose a grade to view its available package options.

13 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 1g In stock Inquiry
Batchno.20250713 250mg In stock Inquiry
Batchno.20260103 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251002 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250607 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251225 50mg In stock Shanghai, Chengdu Inquiry
Batchno.20260331 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 100mg In stock Shanghai Inquiry
Batchno.20250803 1g In stock Shanghai Inquiry
Batchno.20251127 250mg In stock Shanghai Inquiry
Batchno.20251012 50mg In stock Shanghai Inquiry
Batchno.20250729 5g In stock Shanghai Inquiry
  • Product code: SSC-213272
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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: 0.25g
  • Available purity: ＞97%
  • 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 99604-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

99604-67-8 / TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM (I) HEXAFLUOROPHOSPHATE

Standard CAS: 99604-67-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99604-67-8
Multi CAS
Yes
Molecular Formula
C16F6H24N3PRu
Molecular Weight
504.400000
Exact Mass
505.065544
InChI
InChI=1S/C10H15.3C2H3N.F6P.Ru/c1-6-7(2)9(4)10(5)8(6)3;3*1-2-3;1-7(2,3,4,5)6;/h1-5H3;3*1H3;;/q;;;;-1;+1
InChIKey
ZCTVTAHGKJRWTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
93.09
TPSA
71.37

LogP / Solubility

WLOGP
8.24
MLOGP
7.28
XLogP3
8.24
Consensus LogP
7.92
Log S (ESOL)
-8.16
Class (ESOL)
Insoluble
Log S (Ali)
-9.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.05

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
2.5

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