CAS RN: 2037-95-8
2 H-1,3-BENZOXAZINE-2,4(3 H)-DIONE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: SSC-095903
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 25g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 100g | -- | 1 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 1 In Stock | Beijing | Inquiry |
2037-95-8 / 1,3-benzoxazine-2,4-dione
Basic Information
CAS
2037-95-8
Multi CAS
No
Molecular Formula
C8H5NO3
Molecular Weight
163.130000
Exact Mass
163.026943
SMILES
C1=CC=C2C(=C1)C(=O)NC(=O)O2
InChI
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey
OAYRYNVEFFWSHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.1
TPSA
63.07
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
1
Consensus LogP
0.63
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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