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CAS 343321-59-5 Sodium 4-Amino-5-hydroxy-2,7-naphthalenedisulfonate Hydrate molecular structure lightbox
CAS RN: 343321-59-5

Sodium 4-Amino-5-hydroxy-2,7-naphthalenedisulfonate Hydrate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250614 100g In stock Shanghai Inquiry
Batchno.20250404 25g In stock Shanghai, Shandong Inquiry
  • Product code: ICTA0362
  • Purity/Analytical Methods: >80.0%(T)
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343321-59-5 / sodium 4-amino-5-hydroxy-7-sulfonaphthalene-2-sulfonate

Standard CAS: 343321-59-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
343321-59-5
Multi CAS
Yes
Molecular Formula
C10H8NNAO7S2
Molecular Weight
341.300000
Exact Mass
340.963988
InChI
InChI=1S/C10H9NO7S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
InChIKey
QPILZZVXGUNELN-UHFFFAOYSA-M

Physical Properties

Physical Description
Dry 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
3
Molar refractivity
67.8
TPSA
157.82

LogP / Solubility

WLOGP
-2.72
MLOGP
-2.37
XLogP3
-2.72
Consensus LogP
-2.6
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.4
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.14
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)
-6.73

Drug-likeness / Medicinal Chemistry

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

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