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CAS 2408429-61-6 3-Bromo-2-methyl-6,7-dihydro-5H-pyrazolo1,5-apyridin-4-one molecular structure lightbox
CAS RN: 2408429-61-6

3-Bromo-2-methyl-6,7-dihydro-5H-pyrazolo1,5-apyridin-4-one

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251006 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2408429-61-6
  • Purity/Analytical Methods: >99.0%
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2408429-61-6 / 3-bromo-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

Standard CAS: 2408429-61-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2408429-61-6
Multi CAS
No
Molecular Formula
C8H9BrN2O
Molecular Weight
229.070000
Exact Mass
227.989830
SMILES
CC1=NN2CCCC(=O)C2=C1Br
InChI
InChI=1S/C8H9BrN2O/c1-5-7(9)8-6(12)3-2-4-11(8)10-5/h2-4H2,1H3
InChIKey
BUKVMWDSQXCHAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
48.23
TPSA
34.89

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.4
Consensus LogP
1.68
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.75

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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