CAS RN: 590417-97-3
2H-Indazole,5-bromo-2-ethyl-(9CI)
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.20250722 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS590417-97-3
- Purity/Analytical Methods: >99.0%
590417-97-3 / 5-bromo-2-ethylindazole
Basic Information
CAS
590417-97-3
Multi CAS
No
Molecular Formula
BC9H9Rn2
Molecular Weight
225.080000
Exact Mass
223.994910
InChI
InChI=1S/C9H9BrN2/c1-2-12-6-7-5-8(10)3-4-9(7)11-12/h3-6H,2H2,1H3
InChIKey
HQGWVFUIGSFDSL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.11
TPSA
17.82
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-Methyl-4-nitro-phenylboronic acid pinacol ester
- CAS RN: 590418-04-5
- Product Code: SSC-167433
-
2-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 590418-05-6
- Product Code: SSC-167434
-
-
-
-
N-[2-(DiethylaMino)ethyl]-2,4-diMethyl-1H-pyrrole-3-CarboxaMide
- CAS RN: 590424-05-8
- Product Code: SSC-167440
![CAS 590424-05-8 N-[2-(DiethylaMino)ethyl]-2,4-diMethyl-1H-pyrrole-3-CarboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/590424-05-8.gif)