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CAS 32993-05-8 Cyclopentadienylbis(triphenylphosphine)ruthenium(II) Chloride molecular structure lightbox
CAS RN: 32993-05-8

Cyclopentadienylbis(triphenylphosphine)ruthenium(II) Chloride

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 100g Out of stock Inquiry
Batchno.20251216 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250908 25g In stock Shanghai, Tianjin Inquiry
Batchno.20251203 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: ICTC2201
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32993-05-8 / Cyclopentadienylbis(triphenylphosphine)ruthenium(II) Chloride

Standard CAS: 32993-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32993-05-8
Multi CAS
Yes
Molecular Formula
C41H35CLP2RU
Molecular Weight
726.200000
Exact Mass
726.094593
InChI
InChI=1S/2C18H15P.C5H5.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;/h2*1-15H;1-5H;1H;/q;;;;+2/p-1
InChIKey
WGMSYMWDQQMDAK-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
192.88
TPSA
0.0000

LogP / Solubility

WLOGP
5.21
MLOGP
4.65
XLogP3
5.21
Consensus LogP
5.02
Log S (ESOL)
-7.82
Class (ESOL)
Insoluble
Log S (Ali)
-9.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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