![2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate structure](/static/products/4343/434307-95-6.webp)
2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate
TL;DR: 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate (CAS 434307-95-6) is a chemical compound with molecular formula C22H21NO7 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-tert-butyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Also Known As: 2-(tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate, ethyl 2-(tert-butyl)-5-((4-nitrobenzoyl)oxy)benzofuran-3-carboxylate, ethyl 2-tert-butyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate, ETHYL 2-TERT-BUTYL-5-(4-NITROBENZOYLOXY)-1-BENZOFURAN-3-CARBOXYLATE, F1190-0399
| Molecular Formula | C22H21NO7 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 5.0344 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1318 |
| Heavy Atoms | 30 |
| Complexity | 1120.8339 |
Chemical Identifiers
| CAS Number | 434307-95-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C |
Product Overview
2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate (CAS 434307-95-6), with molecular formula C22H21NO7 and molecular weight 411.13 g/mol. IUPAC: ethyl 2-tert-butyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate
Property Insights of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate
The XLogP value of 5.0344 indicates that 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate?
The CAS number of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate is 434307-95-6.
What is the molecular formula of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate?
The molecular formula of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate is C22H21NO7.
What is the molecular weight of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate?
The molecular weight of 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate is 411.13 g/mol.
Where can I buy 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate?
You can request a quote for 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Tert-butyl)-3-(ethoxycarbonyl)benzo[b]furan-5-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.