Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate
TL;DR: Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate (CAS 34724-52-2) is a chemical compound with molecular formula C12H10N2O8 and molecular weight 310.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate
Also Known As: ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate, 2-methyl-3-ethoxycarbonyl-4,6-dinitro-5-hydroxybenzofuran, 5-hydroxy-2-methyl-4,6-dinitro-benzofuran-3-carboxylic acid ethyl ester, RefChem:344373
| Molecular Formula | C12H10N2O8 |
|---|---|
| Molecular Weight | 310.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.0437 |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 34724-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C |
| InChIKey | KMJUQOPOEMOZKR-UHFFFAOYSA-N |
Product Overview
Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate (CAS 34724-52-2), with molecular formula C12H10N2O8 and molecular weight 310.04 g/mol. IUPAC: ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate
Property Insights of Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate. The TPSA of 151.0 Ų indicates high polarity, suggesting Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate is 34724-52-2.
What is the molecular formula of Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate is C12H10N2O8.
What is the molecular weight of Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate is 310.04 g/mol.
Where can I buy Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-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 Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-hydroxy-2-methyl-4,6-dinitro-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.