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CAS 61551-82-4 6,6′-Oxybis- molecular structure lightbox
CAS RN: 61551-82-4

6,6′-Oxybis-

  • Product code: SSC-170480
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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: ≥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 61551-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

61551-82-4 / disodium;6-(6-sulfonatonaphthalen-2-yl)oxynaphthalene-2-sulfonate

Standard CAS: 61551-82-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61551-82-4
Multi CAS
Yes
Molecular Formula
C20H12NA2O7S2
Molecular Weight
474.400000
Exact Mass
473.981984
InChI
InChI=1S/C20H14O7S2.2Na/c21-28(22,23)19-7-3-13-9-17(5-1-15(13)11-19)27-18-6-2-16-12-20(29(24,25)26)8-4-14(16)10-18;;/h1-12H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChIKey
FBGQGMKNWOSSAG-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
20
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
103.9
TPSA
123.63

LogP / Solubility

WLOGP
-2.4
MLOGP
-2.08
XLogP3
-2.4
Consensus LogP
-2.29
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
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)
-7.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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