![[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate structure](/static/products/852/852708-09-9.webp)
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
TL;DR: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CAS 852708-09-9) is a chemical compound with molecular formula C20H15N3O7 and molecular weight 409.091 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
Also Known As: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
Technical Specifications
| Molecular Formula | C20H15N3O7 |
| Molecular Weight | 409.091 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.091 Da |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
| SMILES | COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | UXNDXAUQDVPAQL-UHFFFAOYSA-N |
Chemical Property Profile of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
Property Insights of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
The XLogP value of 3.0 indicates that [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The CAS number of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is 852708-09-9.
What is the molecular formula of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The molecular formula of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is C20H15N3O7.
What is the molecular weight of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The molecular weight of [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is 409.091 g/mol.
Where can I buy [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
You can request a quote for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.