CAS RN: 212143-23-2

DICHLORO[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(1R,2R)-(+)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II)

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250603 100mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250328 10g Out of stock Inquiry
Batchno.20250307 1g In stock Shanghai Inquiry
Batchno.20260322 250mg In stock Shanghai Inquiry
Batchno.20250627 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS212143-23-2
  • Purity/Analytical Methods: >99.0%
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212143-23-2 / dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

Standard CAS: 212143-23-2 Multi CAS: No

Basic Information

CAS
212143-23-2
Multi CAS
No
Molecular Formula
C58H48Cl2N2P2Ru
Molecular Weight
1006.900000
Exact Mass
1006.171319
SMILES
C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)N)N.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl[Ru]Cl
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.1.../s1
InChIKey
PZTVCDSGEXHVBL-ODQAEMFESA-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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