CAS RN: 67769-47-5
LUCIFER YELLOW CH DILITHIUM 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.20250118 | 25mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS67769-47-5
- Purity/Analytical Methods: >99.0%
67769-47-5 / dilithium;6-amino-2-(hydrazinecarbonylamino)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate
Basic Information
CAS
67769-47-5
Multi CAS
Yes
Molecular Formula
C13H9Li2N5O9S2
Molecular Weight
457.300000
Exact Mass
457.016176
InChI
InChI=1S/C13H11N5O9S2.2Li/c14-10-5-1-4(28(22,23)24)2-6-9(5)7(3-8(10)29(25,26)27)12(20)18(11(6)19)17-13(21)16-15;;/h1-3H,14-15H2,(H2,16,17,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKey
RPKCZJYDUKVMGF-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
11
H-bond donors
4
Molar refractivity
90.64
TPSA
244.95
LogP / Solubility
WLOGP
-8.08
MLOGP
-7.08
XLogP3
-8.08
Consensus LogP
-7.75
Log S (ESOL)
2.37
Class (ESOL)
Highly soluble
Log S (Ali)
2.52
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.71
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-11.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 67795-42-0 3-AMINO-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67795-42-0.gif)
