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CAS 1321-14-8 Sulfogaiacol molecular structure lightbox
CAS RN: 1321-14-8

Sulfogaiacol

  • Product code: SSC-039122
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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: 500g
  • 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 1321-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

1321-14-8 / potassium;4-hydroxy-3-methoxybenzenesulfonate;hydrate

Standard CAS: 1321-14-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1321-14-8
Multi CAS
No
Molecular Formula
C7H9KO6S
Molecular Weight
260.310000
Exact Mass
259.975691
SMILES
COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.O.[K+]
InChI
InChI=1S/C7H8O5S.K.H2O/c1-12-7-4-5(13(9,10)11)2-3-6(7)8;;/h2-4,8H,1H3,(H,9,10,11);;1H2/q;+1;/p-1
InChIKey
UZXRQGSKGNYWCP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.24
TPSA
118.16

LogP / Solubility

WLOGP
-3.52
MLOGP
-3.09
XLogP3
-3.52
Consensus LogP
-3.38
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.33
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)
-6.8

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (53.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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