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CAS 220114-32-9 RuCl2[(R)-xylbinap][(R)-daipen] molecular structure lightbox
CAS RN: 220114-32-9

RuCl2[(R)-xylbinap][(R)-daipen]

Product Availability

Available package options are listed below.

1 package records1 with current stock
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250720 100mg / 200mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-105879
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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: >98%
  • 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 220114-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 0 Out of Stock Shenzhen Inquiry

220114-32-9 / [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium

Standard CAS: 220114-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220114-32-9
Multi CAS
No
Molecular Formula
C71H74Cl2N2O2P2Ru
Molecular Weight
1221.300000
Exact Mass
1220.364599
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.CC(C)C(C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N.Cl[Ru]Cl
InChI
InChI=1S/C52H48P2.C19H26N2O2.2ClH.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;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h9-32H,1-8H3;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKey
UTQCNMRDWASSEC-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
80
Aromatic heavy atom count
56
Fraction Csp3
0.21
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
347.67
TPSA
70.5

LogP / Solubility

WLOGP
15.91
MLOGP
14.12
XLogP3
15.91
Consensus LogP
15.31
Log S (ESOL)
-17.1
Class (ESOL)
Insoluble
Log S (Ali)
-21.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.36
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)
1.13

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
8

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