CAS RN: 5460-09-3
8-Amino-1-naphthol-3,6-disulfonic acid monosodium salt monohydrate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260221 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | 5-7 business days | Inquiry |
- Product code: starshine_CAS5460-09-3
- Purity/Analytical Methods: >99.0%
5460-09-3 / 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
Basic Information
CAS
5460-09-3
Multi CAS
Yes
Molecular Formula
C10H9NO7S2
Molecular Weight
319.300000
Exact Mass
318.982044
InChI
InChI=1S/C10H9NO7S2/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)
InChIKey
APRRQJCCBSJQOQ-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
4
Molar refractivity
69.65
TPSA
154.99
LogP / Solubility
WLOGP
0.62
MLOGP
0.56
XLogP3
0.2
Consensus LogP
0.46
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-4.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
