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CAS 845782-63-0 6,7-difluoroquinoxaline-2-carboxylic acid molecular structure lightbox
CAS RN: 845782-63-0

6,7-difluoroquinoxaline-2-carboxylic acid

  • Product code: SSC-192119
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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: 0.25g
  • 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 845782-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

845782-63-0 / 6,7-difluoroquinoxaline-2-carboxylic acid

Standard CAS: 845782-63-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845782-63-0
Multi CAS
No
Molecular Formula
C9F2H4N2O2
Molecular Weight
210.140000
Exact Mass
210.024084
InChI
InChI=1S/C9H4F2N2O2/c10-4-1-6-7(2-5(4)11)13-8(3-12-6)9(14)15/h1-3H,(H,14,15)
InChIKey
GCQKGMKCGQJAAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.41
TPSA
63.08

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
1.3
Consensus LogP
1.44
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.86

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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