CAS RN: 29985-03-3
1-Benzyl-3-broMo-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.20260429 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS29985-03-3
- Purity/Analytical Methods: >99.0%
29985-03-3 / 1-benzyl-3-bromoindazole
Basic Information
CAS
29985-03-3
Multi CAS
No
Molecular Formula
BC14H11Rn2
Molecular Weight
287.150000
Exact Mass
286.010560
InChI
InChI=1S/C14H11BrN2/c15-14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
DHBHSJONHUNOBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.98
TPSA
17.82
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
4.2
Consensus LogP
3.82
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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