![CAS 85160-83-4 2,2-DIMETHYL-7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85160-83-4.gif)
CAS RN: 85160-83-4
2,2-DIMETHYL-7-NITRO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: SSC-193345
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 | Beijing | Inquiry |
85160-83-4 / 6,7-dimethoxy-1H-quinazoline-2,4-dione
Basic Information
CAS
85160-83-4
Multi CAS
Yes
Molecular Formula
C10H10N2O4
Molecular Weight
222.200000
Exact Mass
222.064057
InChI
InChI=1S/C10H10N2O4/c1-10(2)9(13)11-7-4-3-6(12(14)15)5-8(7)16-10/h3-5H,1-2H3,(H,11,13)
InChIKey
KGWYDVZSGRHPFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.29
TPSA
84.18
LogP / Solubility
WLOGP
0.23
MLOGP
0.21
XLogP3
0.7
Consensus LogP
0.38
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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