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CAS 1417599-57-5 6-Bromo-7-fluoro-8-methyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one molecular structure lightbox
CAS RN: 1417599-57-5

6-Bromo-7-fluoro-8-methyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

  • Product code: SSC-052404
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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, 1g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1417599-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry

1417599-57-5 / 6-bromo-7-fluoro-8-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

Standard CAS: 1417599-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1417599-57-5
Multi CAS
No
Molecular Formula
C8H6BrFN2O2
Molecular Weight
261.050000
Exact Mass
259.959670
SMILES
CC1=C2C(=NC(=C1F)Br)NC(=O)CO2
InChI
InChI=1S/C8H6BrFN2O2/c1-3-5(10)7(9)12-8-6(3)14-2-4(13)11-8/h2H2,1H3,(H,11,12,13)
InChIKey
DJAOHLFAPSUBOU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.76
TPSA
51.22

LogP / Solubility

WLOGP
1.62
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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