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CAS 52698-84-7 Disodium Bathocuproinedisulfonate [for Determination of Cu in Blood] molecular structure lightbox
CAS RN: 52698-84-7

Disodium Bathocuproinedisulfonate [for Determination of Cu in Blood]

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 100mg In stock Inquiry
Batchno.20260505 100mg / 200mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
Batchno.20250130 1g In stock Inquiry
Batchno.20250123 200mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260606 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-159803
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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 52698-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

52698-84-7 / disodium;4-[2,9-dimethyl-7-(4-sulfonatophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate

Standard CAS: 52698-84-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52698-84-7
Multi CAS
Yes
Molecular Formula
C26H18N2NA2O6S2
Molecular Weight
564.500000
Exact Mass
564.040167
InChI
InChI=1S/C26H20N2O6S2.2Na/c1-15-13-23(17-3-7-19(8-4-17)35(29,30)31)21-11-12-22-24(14-16(2)28-26(22)25(21)27-15)18-5-9-20(10-6-18)36(32,33)34;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChIKey
CNUVEAGSJLUJCX-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
26
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
133.32
TPSA
140.18

LogP / Solubility

WLOGP
-1.45
MLOGP
-1.23
XLogP3
-1.45
Consensus LogP
-1.38
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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