CAS RN: 1363383-35-0
5-bromo-2-methyl-7-nitro-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.20260506 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1363383-35-0
- Purity/Analytical Methods: >99.0%
1363383-35-0 / 5-bromo-2-methyl-7-nitroindazole
Basic Information
CAS
1363383-35-0
Multi CAS
No
Molecular Formula
C8H6BrN3O2
Molecular Weight
256.060000
Exact Mass
254.964340
SMILES
CN1C=C2C=C(C=C(C2=N1)[N+](=O)[O-])Br
InChI
InChI=1S/C8H6BrN3O2/c1-11-4-5-2-6(9)3-7(12(13)14)8(5)10-11/h2-4H,1H3
InChIKey
VCQVEMOPFJMGMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.07
TPSA
60.96
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.1
Consensus LogP
2.11
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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