CAS RN: 7251-00-5
2-nitro-10H-acridin-9-one
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.20250817 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7251-00-5
- Purity/Analytical Methods: >99.0%
7251-00-5 / 2-nitro-10H-acridin-9-one
Basic Information
CAS
7251-00-5
Multi CAS
Yes
Molecular Formula
C13H8N2O3
Molecular Weight
240.210000
Exact Mass
240.053492
InChI
InChI=1S/C13H8N2O3/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13/h1-7H,(H,14,16)
InChIKey
MJYGRUSMTCUJGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.73
TPSA
76
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.8
Consensus LogP
2.56
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.35
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
