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CAS 103095-19-8 7-bromo-3-methyl-2(1H)-Quinoxalinone molecular structure lightbox
CAS RN: 103095-19-8

7-bromo-3-methyl-2(1H)-Quinoxalinone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS103095-19-8
  • Purity/Analytical Methods: >99.0%
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103095-19-8 / 7-bromo-3-methyl-1H-quinoxalin-2-one

7-Bromo-3-methylquinoxalin-2(1H)-one | 7-bromo-3-methyl-1H-quinoxalin-2-one | 2(1H)-Quinoxalinone, 7-bromo-3-methyl-

Standard CAS: 103095-19-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103095-19-8
Multi CAS
Yes
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC1=NC2=C(C=C(C=C2)Br)NC1=O
InChI
InChI=1S/C9H7BrN2O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-4H,1H3,(H,12,13)
InChIKey
NBISGWQFJNEDOE-UHFFFAOYSA-N
Synonyms
7-Bromo-3-methylquinoxalin-2(1H)-one 7-bromo-3-methyl-1H-quinoxalin-2-one 2(1H)-Quinoxalinone, 7-bromo-3-methyl- MFCD14859917 7-bromo-3-methyl-1,2-dihydroquinoxalin-2-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.8
TPSA
45.75

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.4
Consensus LogP
1.72
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

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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