CAS RN: 885518-76-3
3-BROMO-6-IODO (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.20250728 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885518-76-3
- Purity/Analytical Methods: >99.0%
885518-76-3 / 3-bromo-6-iodo-2H-indazole
Basic Information
CAS
885518-76-3
Multi CAS
No
Molecular Formula
C7H4BRIN2
Molecular Weight
322.930000
Exact Mass
321.860260
InChI
InChI=1S/C7H4BrIN2/c8-7-5-2-1-4(9)3-6(5)10-11-7/h1-3H,(H,10,11)
InChIKey
XILHFBUJIZYJRZ-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
56.51
TPSA
28.68
LogP / Solubility
WLOGP
2.93
MLOGP
2.59
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
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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