CAS RN: 885519-30-2
3-BROMO-5-METHOXY (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.20260504 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS885519-30-2
- Purity/Analytical Methods: >99.0%
885519-30-2 / 3-bromo-5-methoxy-2H-indazole
Basic Information
CAS
885519-30-2
Multi CAS
No
Molecular Formula
BC8H7ORn2
Molecular Weight
227.060000
Exact Mass
225.974180
InChI
InChI=1S/C8H7BrN2O/c1-12-5-2-3-7-6(4-5)8(9)11-10-7/h2-4H,1H3,(H,10,11)
InChIKey
HYFXBJKOXIFDNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.35
TPSA
37.91
LogP / Solubility
WLOGP
2.33
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
