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CAS 117-59-9 1-Naphthol-5-sulfonic acid molecular structure lightbox
CAS RN: 117-59-9

1-Naphthol-5-sulfonic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-016829
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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 117-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

117-59-9 / 5-hydroxynaphthalene-1-sulfonic acid

1-Naphthalenesulfonic acid, 5-hydroxy- | 5-Hydroxynaphthalene-1-sulphonic acid | EINECS 204-199-7

Standard CAS: 117-59-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117-59-9
Multi CAS
No
Molecular Formula
C10H8O4S
Molecular Weight
224.230000
Exact Mass
224.014330
SMILES
C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)O
InChI
InChI=1S/C10H8O4S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6,11H,(H,12,13,14)
InChIKey
YLKCHWCYYNKADS-UHFFFAOYSA-N
Synonyms
1-Naphthalenesulfonic acid, 5-hydroxy- 5-Hydroxynaphthalene-1-sulphonic acid EINECS 204-199-7 RefChem:434920 204-199-7

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.43
TPSA
74.6

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
0.9
Consensus LogP
1.42
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 37 of 39 companies (only 5.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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