2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate
TL;DR: 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate (CAS 852467-66-4) is a chemical compound with molecular formula C16H13BrN2O3 and molecular weight 360.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate
Also Known As: AB00732220-01, 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate, 1h-indazole-3-carboxylic acid, 2-(4-bromophenoxy)ethyl ester
| Molecular Formula | C16H13BrN2O3 |
|---|---|
| Molecular Weight | 360.01 g/mol |
| LogP | 3.5612 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.01096 |
| Heavy Atoms | 22 |
| Complexity | 783.44507 |
Chemical Identifiers
| CAS Number | 852467-66-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN2)C(=O)OCCOC3=CC=C(C=C3)Br |
Product Overview
2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate (CAS 852467-66-4), with molecular formula C16H13BrN2O3 and molecular weight 360.01 g/mol. IUPAC: 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate.
Chemical Property Profile of 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate
Property Insights of 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate
The XLogP value of 3.5612 indicates that 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate. Following Lipinski's Rule of Five, 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate?
The CAS number of 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate is 852467-66-4.
What is the molecular formula of 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate?
The molecular formula of 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate is C16H13BrN2O3.
What is the molecular weight of 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate?
The molecular weight of 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate is 360.01 g/mol.
Where can I buy 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate?
You can request a quote for 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromophenoxy)ethyl 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.