![CAS 2916-09-8 2-ETHYL-BENZO[D][1,3]OXAZIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2916-09-8.gif)
CAS RN: 2916-09-8
2-ETHYL-BENZO[D][1,3]OXAZIN-4-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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260524 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2916-09-8
- Purity/Analytical Methods: >99.0%
2916-09-8 / 2-ethyl-3,1-benzoxazin-4-one
Basic Information
CAS
2916-09-8
Multi CAS
No
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
InChI
InChI=1S/C10H9NO2/c1-2-9-11-8-6-4-3-5-7(8)10(12)13-9/h3-6H,2H2,1H3
InChIKey
FSLNYVWFIGYFSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.66
TPSA
43.1
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1.7
Consensus LogP
1.66
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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