CAS RN: 8003-59-6
Acid Red 9
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.20251129 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTS0140
8003-59-6 / sodium 1-[(5-sulfonaphthalen-2-yl)diazenyl]naphthalen-2-olate
Basic Information
CAS
8003-59-6
Multi CAS
Yes
Molecular Formula
C20H13N2NAO4S
Molecular Weight
400.400000
Exact Mass
400.049372
InChI
InChI=1S/C20H14N2O4S.Na/c23-18-11-8-13-4-1-2-6-17(13)20(18)22-21-15-9-10-16-14(12-15)5-3-7-19(16)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1
InChIKey
GETWKXDZCSCODM-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.33
TPSA
102.15
LogP / Solubility
WLOGP
1.73
MLOGP
1.55
XLogP3
1.73
Consensus LogP
1.67
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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