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CAS 170098-97-2 7-bromo-6-fluoro-3,4-dihydroquinoxalin-2(1H)-one(WXFC0662) molecular structure lightbox
CAS RN: 170098-97-2

7-bromo-6-fluoro-3,4-dihydroquinoxalin-2(1H)-one(WXFC0662)

  • Product code: SSC-074712
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 170098-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

170098-97-2 / 7-bromo-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one

Standard CAS: 170098-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170098-97-2
Multi CAS
No
Molecular Formula
C8H6BrFN2O
Molecular Weight
245.050000
Exact Mass
243.964750
SMILES
C1C(=O)NC2=CC(=C(C=C2N1)F)Br
InChI
InChI=1S/C8H6BrFN2O/c9-4-1-7-6(2-5(4)10)11-3-8(13)12-7/h1-2,11H,3H2,(H,12,13)
InChIKey
RSGUPAALYBFJHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.22
TPSA
41.13

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.83

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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