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CAS 1034001-51-8 [RuCl(p-cymene)((R)-tolbinap)]Cl molecular structure lightbox
CAS RN: 1034001-51-8

[RuCl(p-cymene)((R)-tolbinap)]Cl

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260121 200mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250601 10g Out of stock Inquiry
Batchno.20250325 1g In stock Shanghai Inquiry
Batchno.20250104 250mg In stock Shanghai Inquiry
Batchno.20260107 5g In stock Shanghai Inquiry
  • Product code: SSC-004927
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1034001-51-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1034001-51-8 / [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);dichloride

Chloro((S)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl)(p-cymene)ruthenium(II) chloride (RuCl(p-cymene)((S)-tolbinap))Cl | Chloro[(S)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride [RuCl(p-cymene)((S)-tolbinap)]Cl | RefChem:575683

Standard CAS: 1034001-51-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1034001-51-8
Multi CAS
Yes
Molecular Formula
C58H54Cl2P2Ru+
Molecular Weight
985.000000
Exact Mass
984.212121
SMILES
CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.[Cl-].[Cl-].[Ru+3]
InChI
InChI=1S/C48H40P2.C10H14.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-8(2)10-6-4-9(3)5-7-10;;;/h5-32H,1-4H3;4-8H,1-3H3;2*1H;/q;;;;+3/p-2
InChIKey
ZKAJUZRGXDGAJV-UHFFFAOYSA-L
Synonyms
Chloro((S)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl)(p-cymene)ruthenium(II) chloride (RuCl(p-cymene)((S)-tolbinap))Cl Chloro[(S)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride [RuCl(p-cymene)((S)-tolbinap)]Cl RefChem:575683 812-415-1 [RUCL(P-CYMENE)((S)-TOLBINAP)]CL

Computed Properties

Structural Parameters

Heavy atom count
63
Aromatic heavy atom count
50
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
268.52
TPSA
0.0000

LogP / Solubility

WLOGP
7.53
MLOGP
6.72
XLogP3
7.53
Consensus LogP
7.26
Log S (ESOL)
-10.75
Class (ESOL)
Insoluble
Log S (Ali)
-13.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.28
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)
-3.38

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
7

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