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CAS 220114-38-5 RuCl2[(R)-xylbinap][(R,R)-dpen] molecular structure lightbox
CAS RN: 220114-38-5

RuCl2[(R)-xylbinap][(R,R)-dpen]

Product Availability

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8 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260307 1g Out of stock Inquiry
Batchno.20250803 200mg In stock Inquiry
Batchno.20260106 200mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260625 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260307 100mg In stock Shanghai Inquiry
Batchno.20260505 1g In stock Shanghai Inquiry
Batchno.20251113 250mg In stock Shanghai Inquiry
Batchno.20250510 5g In stock Shanghai Inquiry
  • Product code: SSC-105880
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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 220114-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

220114-38-5 / [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine

Standard CAS: 220114-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220114-38-5
Multi CAS
No
Molecular Formula
C66H64Cl2N2P2Ru
Molecular Weight
1119.100000
Exact Mass
1118.296520
SMILES
CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)N)N.Cl[Ru]Cl
InChI
InChI=1S/C52H48P2.C14H16N2.2ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-32H,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
InChIKey
HYMSONXJNGZZBM-ODQAEMFESA-L

Computed Properties

Structural Parameters

Heavy atom count
73
Aromatic heavy atom count
56
Fraction Csp3
0.15
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
320.64
TPSA
52.04

LogP / Solubility

WLOGP
15.41
MLOGP
13.67
XLogP3
15.41
Consensus LogP
14.83
Log S (ESOL)
-16.39
Class (ESOL)
Insoluble
Log S (Ali)
-19.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.92
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.39

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
8.5

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