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CAS 67580-39-6 Sodium 9,10-Dimethoxyanthracene-2-sulfonate [Fluorimetric Ion-Pair Reagent for Amines] molecular structure lightbox
CAS RN: 67580-39-6

Sodium 9,10-Dimethoxyanthracene-2-sulfonate [Fluorimetric Ion-Pair Reagent for Amines]

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260602 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-177271
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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 67580-39-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

67580-39-6 / sodium 9,10-dimethoxyanthracene-2-sulfonate

Standard CAS: 67580-39-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67580-39-6
Multi CAS
Yes
Molecular Formula
C16H13NAO5S
Molecular Weight
340.300000
Exact Mass
340.038139
InChI
InChI=1S/C16H14O5S.Na/c1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15;/h3-9H,1-2H3,(H,17,18,19);/q;+1/p-1
InChIKey
CBGQZXMEEWCJQD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
82.52
TPSA
75.66

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.06
XLogP3
-0.08
Consensus LogP
-0.07
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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