CAS RN: 1220039-77-9
Ethanone, 1-(6-broMo-1H-indazol-3-yl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1220039-77-9
- Purity/Analytical Methods: >99.0%
1220039-77-9 / 1-(6-bromo-1H-indazol-3-yl)ethanone
Basic Information
CAS
1220039-77-9
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC(=O)C1=NNC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H7BrN2O/c1-5(13)9-7-3-2-6(10)4-8(7)11-12-9/h2-4H,1H3,(H,11,12)
InChIKey
LNAHWKUKPHEFST-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.8
TPSA
45.75
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.38
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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