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CAS 85-47-2 1-Naphthalenesulfonic acid molecular structure lightbox
CAS RN: 85-47-2

1-Naphthalenesulfonic acid

  • Product code: SSC-192827
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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 85-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

85-47-2 / naphthalene-1-sulfonic acid

Standard CAS: 85-47-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85-47-2
Multi CAS
Yes
Molecular Formula
C10H8O3S
Molecular Weight
208.240000
Exact Mass
208.019415
InChI
InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
InChIKey
PSZYNBSKGUBXEH-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid; [Merck Index] Grey powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.76
TPSA
54.37

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

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

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