![CAS 329736-05-2 DICHLORO[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/329736-05-2.gif)
CAS RN: 329736-05-2
DICHLORO[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II)
Product Availability
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6 package records5 with current stock2 grade groups
- Product code: starshine_CAS329736-05-2
- Purity/Analytical Methods: >99.0%
329736-05-2 / dichlororuthenium;(1S,2S)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
Basic Information
CAS
329736-05-2
Multi CAS
Yes
Molecular Formula
C58H48CL2N2P2RU
Molecular Weight
1006.900000
Exact Mass
1006.171319
InChI
InChI=1S/C44H32P2.C14H16N2.2ClH.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;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.0.../s1
InChIKey
PZTVCDSGEXHVBL-LISIALKWSA-L
Computed Properties
Structural Parameters
Heavy atom count
65
Aromatic heavy atom count
56
Fraction Csp3
0.03
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
282.75
TPSA
52.04
LogP / Solubility
WLOGP
12.94
MLOGP
11.48
XLogP3
12.94
Consensus LogP
12.45
Log S (ESOL)
-14.21
Class (ESOL)
Insoluble
Log S (Ali)
-17.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.14
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)
0.32
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
8.5
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![CAS 329773-35-5 4-[N-(4-Carboxybutyl)-N-[2-[2-[4-(2-phenylethyl)benzyloxy]phenyl]ethyl]aMinoMethyl]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/329773-35-5.gif)
