![CAS 943994-62-5 6-Bromo-8-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/943994-62-5.gif)
CAS RN: 943994-62-5
6-Bromo-8-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
- Product code: SSC-209176
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: 0.25g, 0.1g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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.
943994-62-5 / 6-bromo-8-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
Basic Information
CAS
943994-62-5
Multi CAS
No
Molecular Formula
BC8H7O2Rn2
Molecular Weight
243.060000
Exact Mass
241.969090
InChI
InChI=1S/C8H7BrN2O2/c1-4-2-5(9)10-8-7(4)13-3-6(12)11-8/h2H,3H2,1H3,(H,10,11,12)
InChIKey
XMEIEWJNSXYMMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.8
TPSA
51.22
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.43
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-3.15
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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