![CAS 85160-84-5 2,2-DIMETHYL-6-NITRO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85160-84-5.gif)
CAS RN: 85160-84-5
2,2-DIMETHYL-6-NITRO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-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.20260301 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-193346
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
85160-84-5 / 2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one
Basic Information
CAS
85160-84-5
Multi CAS
No
Molecular Formula
C10H10N2O4
Molecular Weight
222.200000
Exact Mass
222.064057
InChI
InChI=1S/C10H10N2O4/c1-10(2)9(13)11-7-5-6(12(14)15)3-4-8(7)16-10/h3-5H,1-2H3,(H,11,13)
InChIKey
YKXZRZGZJZYBBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.43
TPSA
81.47
LogP / Solubility
WLOGP
1.7
MLOGP
1.5
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.87
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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