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CAS 38625-54-6 RU(TMHD)3 molecular structure lightbox
CAS RN: 38625-54-6

RU(TMHD)3

  • Product code: SSC-146249
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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: ＞99%
  • 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 38625-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞99% 0 Out of Stock Shanghai Inquiry

38625-54-6 / ruthenium(3+);tris(2,2,6,6-tetramethylheptane-3,5-dione)

Standard CAS: 38625-54-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38625-54-6
Multi CAS
Yes
Molecular Formula
C33H57O6Ru
Molecular Weight
650.900000
Exact Mass
651.319855
InChI
InChI=1S/3C11H20O2.Ru/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3
InChIKey
FKJOFKNVRUZKNK-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.73
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
159.67
TPSA
102.42

LogP / Solubility

WLOGP
7.26
MLOGP
6.44
XLogP3
7.26
Consensus LogP
6.99
Log S (ESOL)
-8.05
Class (ESOL)
Insoluble
Log S (Ali)
-10.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.64
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
Yes
Log Kp (skin permeation)
-1.54

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
4

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