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CAS 132071-87-5 [(R)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl]ruthenium(II) Dichloride molecular structure lightbox
CAS RN: 132071-87-5

[(R)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl]ruthenium(II) Dichloride

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 1g In stock Shanghai, Chongqing Inquiry
Batchno.20260624 250mg In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250815 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251007 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250216 25g Out of stock Inquiry
Batchno.20251025 5g In stock Shanghai, Tianjin Inquiry
  • Product code: ICTB3067
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132071-87-5 / dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

Standard CAS: 132071-87-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132071-87-5
Multi CAS
No
Molecular Formula
C44H32Cl2P2Ru
Molecular Weight
794.600000
Exact Mass
794.039971
SMILES
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/C44H32P2.2ClH.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;;;/h1-32H;2*1H;/q;;;+2/p-2
InChIKey
YEKBVMDAGDTOQB-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
44
Rotatable bonds
7
Molar refractivity
216.01
TPSA
0.0000

LogP / Solubility

WLOGP
10.55
MLOGP
9.36
XLogP3
10.55
Consensus LogP
10.15
Log S (ESOL)
-11.62
Class (ESOL)
Insoluble
Log S (Ali)
-13.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.42
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.07

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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