![[Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate structure](/static/products/4290/42901-92-8.webp)
[Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate
TL;DR: [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate (CAS 42901-92-8) is a chemical compound with molecular formula C15H15NO7 and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate
Also Known As: [acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate|(2-Ethyl-6-nitro-1-benzofuran-3-yl)methylene diacetate|[acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetat
| Molecular Formula | C15H15NO7 |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.08484 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 42901-92-8 |
|---|---|
| SMILES | CCC1=C(C2=C(O1)C=C(C=C2)[N+](=O)[O-])C(OC(=O)C)OC(=O)C |
| InChIKey | XXROLUNDWQKYPH-UHFFFAOYSA-N |
Product Overview
[Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate (CAS 42901-92-8), with molecular formula C15H15NO7 and molecular weight 321.08 g/mol. IUPAC: [acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate.
Chemical Property Profile of [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate
Property Insights of [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate. Following Lipinski's Rule of Five, [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate 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 [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate?
The CAS number of [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate is 42901-92-8.
What is the molecular formula of [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate?
The molecular formula of [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate is C15H15NO7.
What is the molecular weight of [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate?
The molecular weight of [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate is 321.08 g/mol.
Where can I buy [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate?
You can request a quote for [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [Acetyloxy-(2-ethyl-6-nitro-1-benzofuran-3-yl)methyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.