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CAS 38596-61-1 CARBONYLBIS(TRIFLUOROACETATO)BIS(TRIPHENYLPHOSPHINE)RUTHENIUM (II)METHANOL ADDUCT molecular structure lightbox
CAS RN: 38596-61-1

CARBONYLBIS(TRIFLUOROACETATO)BIS(TRIPHENYLPHOSPHINE)RUTHENIUM (II)METHANOL ADDUCT

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-146234
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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 38596-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞98% 0 Out of Stock Shanghai Inquiry

38596-61-1 / carbon monoxide;ruthenium;bis(2,2,2-trifluoroacetic acid);bis(triphenylphosphane)

Standard CAS: 38596-61-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38596-61-1
Multi CAS
Yes
Molecular Formula
C41F6H32O5P2Ru
Molecular Weight
881.700000
Exact Mass
882.067257
InChI
InChI=1S/2C18H15P.2C2HF3O2.CO.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*3-2(4,5)1(6)7;1-2;/h2*1-15H;2*(H,6,7);;
InChIKey
KCRSYHIRWYXZRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
36
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
201.61
TPSA
94.5

LogP / Solubility

WLOGP
8.12
MLOGP
7.22
XLogP3
8.12
Consensus LogP
7.82
Log S (ESOL)
-10.51
Class (ESOL)
Insoluble
Log S (Ali)
-12.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

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
5.5

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