![CAS 329735-86-6 DICHLORO[(R)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(R)-1,1-BIS(P-METHOXYPHENYL)-2-ISOPROPYLETHANE-1,2-DIAMINE]RUTHENIUM(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/329735-86-6.gif)
CAS RN: 329735-86-6
DICHLORO[(R)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(R)-1,1-BIS(P-METHOXYPHENYL)-2-ISOPROPYLETHANE-1,2-DIAMINE]RUTHENIUM(II)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS329735-86-6
- Purity/Analytical Methods: >99.0%
329735-86-6 / (2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
Basic Information
CAS
329735-86-6
Multi CAS
Yes
Molecular Formula
C63H58CL2N2O2P2RU
Molecular Weight
1109.100000
Exact Mass
1108.239399
InChI
InChI=1S/C44H32P2.C19H26N2O2.2ClH.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;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h1-32H;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2/t;18-;;;/m.1.../s1
InChIKey
ZVVRWLPQKLDJRW-OEGAAENXSA-L
Computed Properties
Structural Parameters
Heavy atom count
72
Aromatic heavy atom count
56
Fraction Csp3
0.11
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
309.78
TPSA
70.5
LogP / Solubility
WLOGP
13.44
MLOGP
11.94
XLogP3
13.44
Consensus LogP
12.94
Log S (ESOL)
-14.9
Class (ESOL)
Insoluble
Log S (Ali)
-18.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.59
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.06
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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