CAS RN: 1092961-02-8
5-(bromomethyl)-1-methyl-1H-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.20250225 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1092961-02-8
- Purity/Analytical Methods: >99.0%
1092961-02-8 / 5-(bromomethyl)-1-methylindazole
5-(Bromomethyl)-1-methyl-1H-indazole | 5-(BROMOMETHYL)-1-METHYLINDAZOLE | MFCD11052617
Basic Information
CAS
1092961-02-8
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CN1C2=C(C=C(C=C2)CBr)C=N1
InChI
InChI=1S/C9H9BrN2/c1-12-9-3-2-7(5-10)4-8(9)6-11-12/h2-4,6H,5H2,1H3
InChIKey
GETXVJDRZHCMDS-UHFFFAOYSA-N
Synonyms
5-(Bromomethyl)-1-methyl-1H-indazole
5-(BROMOMETHYL)-1-METHYLINDAZOLE
MFCD11052617
SCHEMBL15333416
GETXVJDRZHCMDS-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
53.35
TPSA
17.82
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
