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CAS RN: 1403767-25-8
6-Bromo-5-hydroxy-2-methyl-2H-indazole
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.20250530 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1403767-25-8
- Purity/Analytical Methods: >99.0%
1403767-25-8 / 6-bromo-2-methylindazol-5-ol
Basic Information
CAS
1403767-25-8
Multi CAS
No
Molecular Formula
C8H7BrN2O
Molecular Weight
227.060000
Exact Mass
225.974180
SMILES
CN1C=C2C=C(C(=CC2=N1)Br)O
InChI
InChI=1S/C8H7BrN2O/c1-11-4-5-2-8(12)6(9)3-7(5)10-11/h2-4,12H,1H3
InChIKey
RIDVKAZOEWYONR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.08
TPSA
38.05
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-2.66
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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![CAS 1403767-33-8 4-Chloro-5-broMopyrrolo[1,2-f][1,2,4]triazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403767-33-8(2).gif)
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