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CAS 212143-24-3 DICHLORO[(S)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(S)-1,1-BIS(P-METHOXYPHENYL)-2-ISOPROPYLETHANE-1,2-DIAMINE]RUTHENIUM(II) molecular structure lightbox
CAS RN: 212143-24-3

DICHLORO[(S)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(S)-1,1-BIS(P-METHOXYPHENYL)-2-ISOPROPYLETHANE-1,2-DIAMINE]RUTHENIUM(II)

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250226 100mg In stock Shanghai Inquiry
Batchno.20250721 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250703 1g Out of stock Inquiry
Batchno.20260124 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS212143-24-3
  • Purity/Analytical Methods: >99.0%
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212143-24-3 / (2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

Standard CAS: 212143-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212143-24-3
Multi CAS
No
Molecular Formula
C63H58Cl2N2O2P2Ru
Molecular Weight
1109.100000
Exact Mass
1108.239399
SMILES
CC(C)[C@@H](C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)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.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.0.../s1
InChIKey
ZVVRWLPQKLDJRW-OGLOXHGMSA-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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