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CAS 16241-25-1 Potassium Guaiacolsulfonate molecular structure lightbox
CAS RN: 16241-25-1

Potassium Guaiacolsulfonate

  • Product code: SSC-069945
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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: 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 16241-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

16241-25-1 / potassium 4-hydroxy-3-methoxybenzenesulfonate

Standard CAS: 16241-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16241-25-1
Multi CAS
No
Molecular Formula
C7H7KO5S
Molecular Weight
242.290000
Exact Mass
241.965126
SMILES
COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.[K+]
InChI
InChI=1S/C7H8O5S.K/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1
InChIKey
QFRKWSPTCBGLSU-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
42.62
TPSA
86.66

LogP / Solubility

WLOGP
-2.69
MLOGP
-2.36
XLogP3
-2.69
Consensus LogP
-2.58
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.76
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)
-6.11

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
1.5

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