Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate
TL;DR: Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate (CAS 315237-76-4) is a chemical compound with molecular formula C20H17NO7 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Also Known As: isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate, propan-2-yl 2-methyl-5-(3-nitrobenzoyloxy)-1-benzofuran-3-carboxylate, F0821-0213, propan-2-yl 2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate, 2-methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 3-nitrobenzoate
| Molecular Formula | C20H17NO7 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 4.43382 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.1005 |
| Heavy Atoms | 28 |
| Complexity | 1081.3478 |
Chemical Identifiers
| CAS Number | 315237-76-4 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC(C)C |
Product Overview
Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate (CAS 315237-76-4), with molecular formula C20H17NO7 and molecular weight 383.10 g/mol. IUPAC: propan-2-yl 2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate
Property Insights of Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate
The XLogP value of 4.43382 indicates that Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate 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 Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate?
The CAS number of Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate is 315237-76-4.
What is the molecular formula of Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate?
The molecular formula of Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate is C20H17NO7.
What is the molecular weight of Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate?
The molecular weight of Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate is 383.10 g/mol.
Where can I buy Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate?
You can request a quote for Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-methyl-5-((3-nitrobenzoyl)oxy)benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.