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CAS 77125-87-2 Sodium Flavonol-2′-sulfonate Hydrate [for Determination of Sn, Zr] molecular structure lightbox
CAS RN: 77125-87-2

Sodium Flavonol-2′-sulfonate Hydrate [for Determination of Sn, Zr]

  • Product code: SSC-186580
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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 77125-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

77125-87-2 / sodium 2-(3-hydroxy-4-oxochromen-2-yl)benzenesulfonate

Standard CAS: 77125-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77125-87-2
Multi CAS
Yes
Molecular Formula
C15H9NAO6S
Molecular Weight
340.300000
Exact Mass
340.001753
InChI
InChI=1S/C15H10O6S.Na/c16-13-9-5-1-3-7-11(9)21-15(14(13)17)10-6-2-4-8-12(10)22(18,19)20;/h1-8,17H,(H,18,19,20);/q;+1/p-1
InChIKey
BAUFCGCZFJQCFG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
77.55
TPSA
107.64

LogP / Solubility

WLOGP
-0.93
MLOGP
-0.8
XLogP3
-0.93
Consensus LogP
-0.89
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-5.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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