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CAS 651780-46-0 1-(5-bromo-3-methyl-1H-indazol-1-yl)-ethanone molecular structure lightbox
CAS RN: 651780-46-0

1-(5-bromo-3-methyl-1H-indazol-1-yl)-ethanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS651780-46-0
  • Purity/Analytical Methods: >99.0%
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651780-46-0 / 1-(5-bromo-3-methylindazol-1-yl)ethanone

Standard CAS: 651780-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
651780-46-0
Multi CAS
No
Molecular Formula
BC10H9ORn2
Molecular Weight
253.090000
Exact Mass
251.989830
InChI
InChI=1S/C10H9BrN2O/c1-6-9-5-8(11)3-4-10(9)13(12-6)7(2)14/h3-5H,1-2H3
InChIKey
CENOHIFSIOVFMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
58.47
TPSA
34.89

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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