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CAS 113269-08-2 6-fluoro-7-nitroquinoxaline molecular structure lightbox
CAS RN: 113269-08-2

6-fluoro-7-nitroquinoxaline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013425
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 113269-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

113269-08-2 / 6-fluoro-7-nitroquinoxaline

6-fluoro-7-nitroquinoxaline | DTXSID30559379 | RefChem:308418

Standard CAS: 113269-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113269-08-2
Multi CAS
No
Molecular Formula
C8H4FN3O2
Molecular Weight
193.130000
Exact Mass
193.028755
SMILES
C1=CN=C2C=C(C(=CC2=N1)[N+](=O)[O-])F
InChI
InChI=1S/C8H4FN3O2/c9-5-3-6-7(11-2-1-10-6)4-8(5)12(13)14/h1-4H
InChIKey
BMTBARLERYHLHR-UHFFFAOYSA-N
Synonyms
6-fluoro-7-nitroquinoxaline DTXSID30559379 RefChem:308418 DTXCID00510159 Quinoxaline, 6-fluoro-7-nitro-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.15
TPSA
68.92

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.1
Consensus LogP
1.42
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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