CAS RN: 29808-81-9
2-NITROACRIDINE
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.20250331 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS29808-81-9
- Purity/Analytical Methods: >99.0%
29808-81-9 / 2-nitroacridine
Basic Information
CAS
29808-81-9
Multi CAS
No
Molecular Formula
C13H8N2O2
Molecular Weight
224.210000
Exact Mass
224.058578
InChI
InChI=1S/C13H8N2O2/c16-15(17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H
InChIKey
VAPQAGMSICPBKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
65.9
TPSA
56.03
LogP / Solubility
WLOGP
3.3
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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