3-(4-bromobenzyl)-5-nitro-1H-indazole
TL;DR: 3-(4-bromobenzyl)-5-nitro-1H-indazole (CAS 426822-35-7) is a chemical compound with molecular formula C14H10BrN3O2 and molecular weight 331.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methyl]-5-nitro-2H-indazole
Also Known As: 3-(4-bromobenzyl)-5-nitro-1H-indazole, 3-[(4-Bromophenyl)methyl]-5-nitro-1H-indazole, 3-[(4-bromophenyl)methyl]-5-nitro-2H-indazole
| Molecular Formula | C14H10BrN3O2 |
|---|---|
| Molecular Weight | 331.00 g/mol |
| LogP | 3.8244 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.99564 |
| Heavy Atoms | 20 |
| Complexity | 780.71826 |
Chemical Identifiers
| CAS Number | 426822-35-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C3C=C(C=CC3=NN2)[N+](=O)[O-])Br |
Product Overview
3-(4-bromobenzyl)-5-nitro-1H-indazole (CAS 426822-35-7), with molecular formula C14H10BrN3O2 and molecular weight 331.00 g/mol. IUPAC: 3-[(4-bromophenyl)methyl]-5-nitro-2H-indazole.
Chemical Property Profile of 3-(4-bromobenzyl)-5-nitro-1H-indazole
Property Insights of 3-(4-bromobenzyl)-5-nitro-1H-indazole
The XLogP value of 3.8244 indicates that 3-(4-bromobenzyl)-5-nitro-1H-indazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-bromobenzyl)-5-nitro-1H-indazole. Following Lipinski's Rule of Five, 3-(4-bromobenzyl)-5-nitro-1H-indazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-bromobenzyl)-5-nitro-1H-indazole?
The CAS number of 3-(4-bromobenzyl)-5-nitro-1H-indazole is 426822-35-7.
What is the molecular formula of 3-(4-bromobenzyl)-5-nitro-1H-indazole?
The molecular formula of 3-(4-bromobenzyl)-5-nitro-1H-indazole is C14H10BrN3O2.
What is the molecular weight of 3-(4-bromobenzyl)-5-nitro-1H-indazole?
The molecular weight of 3-(4-bromobenzyl)-5-nitro-1H-indazole is 331.00 g/mol.
Where can I buy 3-(4-bromobenzyl)-5-nitro-1H-indazole?
You can request a quote for 3-(4-bromobenzyl)-5-nitro-1H-indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromobenzyl)-5-nitro-1H-indazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromobenzyl)-5-nitro-1H-indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.