CAS RN: 52789-62-5
1-Amino-8-naphthol-2,4-disulfonic Acid Monosodium Salt
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTA0363
- Purity/Analytical Methods: >85.0%(T)(HPLC)
52789-62-5 / sodium 1-amino-8-hydroxy-4-sulfonaphthalene-2-sulfonate
Basic Information
CAS
52789-62-5
Multi CAS
Yes
Molecular Formula
C10H8NNAO7S2
Molecular Weight
341.300000
Exact Mass
340.963988
InChI
InChI=1S/C10H9NO7S2.Na/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
InChIKey
JOVLEOXYYWEEEW-UHFFFAOYSA-M
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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