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CAS 258334-13-3 bis(2,2′-bipyridine-κN1,κN1′)[[2,2′-bipyridine]-5,5′-dicarboxylato(2-)-κN1,κN1′]-, dihydrochloride molecular structure lightbox
CAS RN: 258334-13-3

bis(2,2′-bipyridine-κN1,κN1′)[[2,2′-bipyridine]-5,5′-dicarboxylato(2-)-κN1,κN1′]-, dihydrochloride

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260621 100mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250612 1g Out of stock Inquiry
Batchno.20251025 250mg Out of stock Inquiry
Batchno.20260102 50mg In stock Shanghai Inquiry
Batchno.20260424 50mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-122439
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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: 0.25g
  • 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 258334-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry

258334-13-3 / 6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;dichlororuthenium;bis(2-pyridin-2-ylpyridine)

Standard CAS: 258334-13-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
258334-13-3
Multi CAS
No
Molecular Formula
C32H24Cl2N6O4Ru
Molecular Weight
728.500000
Exact Mass
728.027949
SMILES
C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC(=NC=C1C(=O)O)C2=NC=C(C=C2)C(=O)O.Cl[Ru]Cl
InChI
InChI=1S/C12H8N2O4.2C10H8N2.2ClH.Ru/c15-11(16)7-1-3-9(13-5-7)10-4-2-8(6-14-10)12(17)18;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h1-6H,(H,15,16)(H,17,18);2*1-8H;2*1H;/q;;;;;+2/p-2
InChIKey
NHTZGFPRFUFMJE-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
36
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
168.03
TPSA
151.94

LogP / Solubility

WLOGP
7.2
MLOGP
6.4
XLogP3
7.2
Consensus LogP
6.93
Log S (ESOL)
-9.16
Class (ESOL)
Insoluble
Log S (Ali)
-10.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.97
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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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