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CAS 212210-87-2 DICHLORO[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II) molecular structure lightbox
CAS RN: 212210-87-2

DICHLORO[(R)-(+)-2,2′-BIS(DIPHENYLPHOSPHINO)-1,1′-BINAPHTHYL][(1S,2S)-(-)-1,2-DIPHENYLETHYLENEDIAMINE]RUTHENIUM (II)

Product Availability

Choose a grade to view its available package options.

4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250508 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20251101 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250208 1g Out of stock Inquiry
Batchno.20250311 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-101371
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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: ＞97%
  • 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 212210-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

212210-87-2 / bis((1S,2S)-1,2-diphenylethane-1,2-diamine);bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(ruthenium(2+));dichloride

Standard CAS: 212210-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212210-87-2
Multi CAS
No
Molecular Formula
C116H96Cl2N4P4Ru2+2
Molecular Weight
1943.000000
Exact Mass
1945.409370
SMILES
C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N.C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)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.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-].[Cl-].[Ru+2].[Ru+2]
InChI
InChI=1S/C44H32P2.C14H16N2.2ClH.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;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-32H;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.0.../s1
InChIKey
PZTVCDSGEXHVBL-LISIALKWSA-L

Computed Properties

Structural Parameters

Heavy atom count
128
Aromatic heavy atom count
112
Fraction Csp3
0.03
Rotatable bonds
20
H-bond acceptors
4
H-bond donors
4
Molar refractivity
542.09
TPSA
104.08

LogP / Solubility

WLOGP
17.13
MLOGP
15.28
XLogP3
17.13
Consensus LogP
16.51
Log S (ESOL)
-22.01
Class (ESOL)
Insoluble
Log S (Ali)
-27.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-28.91
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

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
10

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