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CAS 134524-84-8 [(S)-2,2′-Bis(diphenylphosphino)-1,1′-binaphthyl]ruthenium(II) Dichloride molecular structure lightbox
CAS RN: 134524-84-8

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

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251207 1g In stock Shanghai Inquiry
Batchno.20250103 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251109 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20250509 5g In stock Shanghai Inquiry
  • Product code: ICTB3068
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134524-84-8 / dichlororuthenium;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane

Standard CAS: 134524-84-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134524-84-8
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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