CAS RN: 842-19-3
disodium 7-hydroxynaphthalene-1,3-disulphonate
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.20260128 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS842-19-3
- Purity/Analytical Methods: >99.0%
842-19-3 / disodium;7-hydroxynaphthalene-1,3-disulfonate
Basic Information
CAS
842-19-3
Multi CAS
Yes
Molecular Formula
C10H6NA2O7S2
Molecular Weight
348.300000
Exact Mass
347.935033
InChI
InChI=1S/C10H8O7S2.2Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKey
IEXIPYCHASVPFD-UHFFFAOYSA-L
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
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