Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate
TL;DR: Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate (CAS 308296-44-8) is a chemical compound with molecular formula C19H16BrNO6 and molecular weight 433.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Also Known As: ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate, ethyl 6-bromo-2-methyl-5-((3-nitrobenzyl)oxy)benzofuran-3-carboxylate, ethyl 6-bromo-2-methyl-5-[(3-nitrobenzyl)oxy]-1-benzofuran-3-carboxylate, ETHYL 6-BROMO-2-METHYL-5-((3-NITROBENZYL)OXY)-1-BENZOFURAN-3-CARBOXYLATE, ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate
| Molecular Formula | C19H16BrNO6 |
|---|---|
| Molecular Weight | 433.02 g/mol |
| LogP | 5.16762 |
| Topological Polar Surface Area | 91.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.0161 |
| Heavy Atoms | 27 |
| Complexity | 1026.4569 |
Chemical Identifiers
| CAS Number | 308296-44-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC(=CC=C3)[N+](=O)[O-])Br)C |
Product Overview
Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate (CAS 308296-44-8), with molecular formula C19H16BrNO6 and molecular weight 433.02 g/mol. IUPAC: ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate
Property Insights of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate
The XLogP value of 5.16762 indicates that Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate?
The CAS number of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate is 308296-44-8.
What is the molecular formula of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate?
The molecular formula of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate is C19H16BrNO6.
What is the molecular weight of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate?
The molecular weight of Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate is 433.02 g/mol.
Where can I buy Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate?
You can request a quote for Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]benzo[b]furan-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.