![CAS 374067-51-3 Diacetato[(R)-(+)-2,2′-bis(diphenylphosphino)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthy]ruthenium(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/374067-51-3(2).gif)
CAS RN: 374067-51-3
Diacetato[(R)-(+)-2,2′-bis(diphenylphosphino)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-binaphthy]ruthenium(II)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260124 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS374067-51-3
- Purity/Analytical Methods: >99.0%
374067-51-3 / acetic acid;[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;ruthenium
Basic Information
CAS
374067-51-3
Multi CAS
Yes
Molecular Formula
C48H48O4P2Ru
Molecular Weight
851.900000
Exact Mass
852.207124
InChI
InChI=1S/C44H40P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-12,19-26,29-32H,13-18,27-28H2;2*1H3,(H,3,4);
InChIKey
BWYPLACAJUYPKL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
36
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
229.19
TPSA
74.6
LogP / Solubility
WLOGP
8.81
MLOGP
7.83
XLogP3
8.81
Consensus LogP
8.48
Log S (ESOL)
-10.69
Class (ESOL)
Insoluble
Log S (Ali)
-12.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.35
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)
-1.66
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
6.5
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