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CAS 91895-29-3 6,7-difluoroquinoxaline-2,3(1H,4H)-dione molecular structure lightbox
CAS RN: 91895-29-3

6,7-difluoroquinoxaline-2,3(1H,4H)-dione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251201 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS91895-29-3
  • Purity/Analytical Methods: >99.0%
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91895-29-3 / 6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione

Standard CAS: 91895-29-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91895-29-3
Multi CAS
Yes
Molecular Formula
C8F2H4N2O2
Molecular Weight
198.130000
Exact Mass
198.024084
InChI
InChI=1S/C8H4F2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)
InChIKey
KFUMSIBOUBHLIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.11
TPSA
65.72

LogP / Solubility

WLOGP
0.49
MLOGP
0.44
XLogP3
0.4
Consensus LogP
0.44
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.58

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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