CAS RN: 1351668-28-4
4,5-Dibromo-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.20250426 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1351668-28-4
- Purity/Analytical Methods: >99.0%
1351668-28-4 / 4,5-dibromo-1H-indazole
Basic Information
CAS
1351668-28-4
Multi CAS
No
Molecular Formula
C7H4Br2N2
Molecular Weight
275.930000
Exact Mass
275.872070
SMILES
C1=CC(=C(C2=C1NN=C2)Br)Br
InChI
InChI=1S/C7H4Br2N2/c8-5-1-2-6-4(7(5)9)3-10-11-6/h1-3H,(H,10,11)
InChIKey
BIXHHZVOQFJKSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.49
TPSA
28.68
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
2.9
Consensus LogP
2.91
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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