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CAS 113269-09-3 6-BROMO-7-NITROQUINOXALINE molecular structure lightbox
CAS RN: 113269-09-3

6-BROMO-7-NITROQUINOXALINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013426
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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 113269-09-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

113269-09-3 / 6-bromo-7-nitroquinoxaline

6-bromo-7-nitroquinoxaline | MFCD00067069 | 7-bromo-6-nitroquinoxaline

Standard CAS: 113269-09-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113269-09-3
Multi CAS
No
Molecular Formula
C8H4BrN3O2
Molecular Weight
254.040000
Exact Mass
252.948690
SMILES
C1=CN=C2C=C(C(=CC2=N1)[N+](=O)[O-])Br
InChI
InChI=1S/C8H4BrN3O2/c9-5-3-6-7(11-2-1-10-6)4-8(5)12(13)14/h1-4H
InChIKey
BPMUIFQVTOCTEL-UHFFFAOYSA-N
Synonyms
6-bromo-7-nitroquinoxaline MFCD00067069 7-bromo-6-nitroquinoxaline 6-bromo-7-nitro-quinoxaline Quinoxaline,6-bromo-7-nitro-

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.89
TPSA
68.92

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
1.7
Consensus LogP
2.01
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

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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