CAS RN: 329735-79-7
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)(1,5-CYCLOOCTADIENE)RUTHENIUM (II)
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-138768
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
329735-79-7 / BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)(1,5-CYCLOOCTADIENE)RUTHENIUM (II)
Basic Information
CAS
329735-79-7
Multi CAS
Yes
Molecular Formula
C30H52O4Ru
Molecular Weight
577.800000
Exact Mass
578.290900
InChI
InChI=1S/2C11H20O2.C8H12.Ru/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-4-6-8-7-5-3-1;/h2*7,12H,1-6H3;1-2,7-8H,3-6H2;/b2*8-7+;;
InChIKey
QPJRIRWTZWRZLB-COYDWXKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
144.93
TPSA
74.6
LogP / Solubility
WLOGP
8.55
MLOGP
7.57
XLogP3
8.55
Consensus LogP
8.22
Log S (ESOL)
-8.68
Class (ESOL)
Insoluble
Log S (Ali)
-10.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.76
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.17
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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