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CAS 5908-27-0 POTASSIUM 1,2-NAPHTHOQUINONE-4-SULFONIC ACID molecular structure lightbox
CAS RN: 5908-27-0

POTASSIUM 1,2-NAPHTHOQUINONE-4-SULFONIC ACID

  • Product code: SSC-167460
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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 5908-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5908-27-0 / potassium 1,4-dioxonaphthalene-2-sulfonate

Standard CAS: 5908-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5908-27-0
Multi CAS
Yes
Molecular Formula
C10H5KO5S
Molecular Weight
276.310000
Exact Mass
275.949476
InChI
InChI=1S/C10H6O5S.K/c11-8-5-9(16(13,14)15)10(12)7-4-2-1-3-6(7)8;/h1-5H,(H,13,14,15);/q;+1/p-1
InChIKey
WZEGLRXCWYMIDO-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
52.88
TPSA
91.34

LogP / Solubility

WLOGP
-2.5
MLOGP
-2.19
XLogP3
-2.5
Consensus LogP
-2.4
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.5
Class (SILICOS-IT)
Highly 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)
-6.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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