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CAS 211366-30-2 1,5-Naphthalenedisulfonic Acid Tetrahydrate molecular structure lightbox
CAS RN: 211366-30-2

1,5-Naphthalenedisulfonic Acid Tetrahydrate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 25g / 100g / 500g / 2.5kg Confirm by inquiry Shandong, Hebei, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 100g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250104 1kg In stock Shanghai Inquiry
Batchno.20260523 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251224 500g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-100936
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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: 100g
  • Available purity: ≥97%
  • 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 211366-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

211366-30-2 / naphthalene-1,5-disulfonic acid;tetrahydrate

Standard CAS: 211366-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211366-30-2
Multi CAS
No
Molecular Formula
C10H16O10S2
Molecular Weight
360.400000
Exact Mass
360.018489
SMILES
C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O.O.O.O.O
InChI
InChI=1S/C10H8O6S2.4H2O/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);4*1H2
InChIKey
ZLBLYGIIADHDKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
78.03
TPSA
234.74

LogP / Solubility

WLOGP
-1.97
MLOGP
-1.71
XLogP3
-1.97
Consensus LogP
-1.88
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-6.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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