CAS RN: 28448-04-6
2H-1-Benzopyran-2-one, 3-nitro-
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260505 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251216 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260123 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250803 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251010 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250731 | 50mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250630 | 5g | In stock | Shanghai | Inquiry | |
| Batchno.20250329 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS28448-04-6
- Purity/Analytical Methods: >99.0%
28448-04-6 / 3-nitrochromen-2-one
Basic Information
CAS
28448-04-6
Multi CAS
No
Molecular Formula
C9H5NO4
Molecular Weight
191.140000
Exact Mass
191.021858
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)[N+](=O)[O-]
InChI
InChI=1S/C9H5NO4/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5H
InChIKey
YTCVPEZECJYZRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.14
TPSA
73.35
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1.9
Consensus LogP
1.7
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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