CAS RN: 449185-77-7
6-BROMO-4H-3,1-BENZOXAZIN-4-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS449185-77-7
- Purity/Analytical Methods: >99.0%
449185-77-7 / 6-bromo-3,1-benzoxazin-4-one
Basic Information
CAS
449185-77-7
Multi CAS
Yes
Molecular Formula
BC8H4O2Rn
Molecular Weight
226.030000
Exact Mass
224.942540
InChI
InChI=1S/C8H4BrNO2/c9-5-1-2-7-6(3-5)8(11)12-4-10-7/h1-4H
InChIKey
RJIZHRFAWBZRDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
47.98
TPSA
43.1
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.71
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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