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CAS 17438-29-8 quinol sulfate molecular structure lightbox
CAS RN: 17438-29-8

quinol sulfate

  • Product code: SSC-076507
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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 17438-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

17438-29-8 / (4-hydroxyphenyl) hydrogen sulfate

Standard CAS: 17438-29-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17438-29-8
Multi CAS
No
Molecular Formula
C6H6O5S
Molecular Weight
190.180000
Exact Mass
189.993594
SMILES
C1=CC(=CC=C1O)OS(=O)(=O)O
InChI
InChI=1S/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
InChIKey
FPXPQMOQWJZYBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.28
TPSA
83.83

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.6
Consensus LogP
0.56
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.47

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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