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CAS 135-51-3 Disodium 3-Hydroxy-2,7-naphthalenedisulfonate molecular structure lightbox
CAS RN: 135-51-3

Disodium 3-Hydroxy-2,7-naphthalenedisulfonate

  • Product code: SSC-042850
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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: 85%
  • 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 135-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g 85% 0 Out of Stock Beijing Inquiry

135-51-3 / disodium;3-hydroxynaphthalene-2,7-disulfonate

Standard CAS: 135-51-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
135-51-3
Multi CAS
No
Molecular Formula
C10H6Na2O7S2
Molecular Weight
348.300000
Exact Mass
347.935033
SMILES
C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKey
VNEBWJSWMVTSHK-UHFFFAOYSA-L

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
61.54
TPSA
134.63

LogP / Solubility

WLOGP
-5.64
MLOGP
-4.94
XLogP3
-5.64
Consensus LogP
-5.41
Log S (ESOL)
1.33
Class (ESOL)
Highly soluble
Log S (Ali)
1.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.52
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)
-8.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (83.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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