CAS RN: 4693-01-0
1-methyl-6-nitro-2H-3,1-benzoxazine-2,4(1H)-dione
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250812 | 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250609 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250901 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260204 | 1g | Out of stock | Inquiry | ||
| Batchno.20250718 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260615 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250523 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS4693-01-0
- Purity/Analytical Methods: >99.0%
4693-01-0 / 1-methyl-6-nitro-3,1-benzoxazine-2,4-dione
Basic Information
CAS
4693-01-0
Multi CAS
Yes
Molecular Formula
C9H6N2O5
Molecular Weight
222.150000
Exact Mass
222.027671
InChI
InChI=1S/C9H6N2O5/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)16-9(10)13/h2-4H,1H3
InChIKey
CUIMZCXFMNKTEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
54.38
TPSA
95.35
LogP / Solubility
WLOGP
0.4
MLOGP
0.35
XLogP3
1
Consensus LogP
0.58
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79
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
