![CAS 944450-48-0 Diacetato[(R)-(+)-5,5′-bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole] ruthenium(II) Ru(OAc)2[(R)-segphos] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944450-48-0.gif)
CAS RN: 944450-48-0
Diacetato[(R)-(+)-5,5′-bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole] ruthenium(II) Ru(OAc)2[(R)-segphos]
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-209284
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 |
944450-48-0 / acetic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium
Basic Information
CAS
944450-48-0
Multi CAS
Yes
Molecular Formula
C42H36O8P2Ru
Molecular Weight
831.700000
Exact Mass
832.092882
InChI
InChI=1S/C38H28O4P2.2C2H4O2.Ru/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30;2*1-2(3)4;/h1-24H,25-26H2;2*1H3,(H,3,4);
InChIKey
OISNHBFITMBIMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
36
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
208.16
TPSA
111.52
LogP / Solubility
WLOGP
6.51
MLOGP
5.8
XLogP3
6.51
Consensus LogP
6.27
Log S (ESOL)
-9.14
Class (ESOL)
Insoluble
Log S (Ali)
-11.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.17
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
6.5
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