CAS RN: 575473-95-9
2H-1,4-Benzoxazin-3(4H)-one,6-amino-2,2-difluoro-(9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250326 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS575473-95-9
- Purity/Analytical Methods: >99.0%
575473-95-9 / 6-amino-2,2-difluoro-4H-1,4-benzoxazin-3-one
Basic Information
CAS
575473-95-9
Multi CAS
No
Molecular Formula
C8F2H6N2O2
Molecular Weight
200.140000
Exact Mass
200.039734
InChI
InChI=1S/C8H6F2N2O2/c9-8(10)7(13)12-5-3-4(11)1-2-6(5)14-8/h1-3H,11H2,(H,12,13)
InChIKey
NHGWXJWYOGTDMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.06
TPSA
64.35
LogP / Solubility
WLOGP
1.19
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-3.09
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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![CAS 575484-83-2 6-(2-chloro-5-fluoropyriMidin-4-ylaMino)-2,2-diMethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/575484-83-2.gif)
