![[2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate structure](/static/products/577/577698-13-6.png)
[2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate
TL;DR: [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate (CAS 577698-13-6) is a chemical compound with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-(dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate
Also Known As: [2-[2-(dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate|5-Benzofuranol, 2-[2-(dimethylamino)ethenyl]-3-nitro-, acetate (ester) (9CI)
| Molecular Formula | C14H14N2O5 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 2.7986 |
| Topological Polar Surface Area | 85.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.09027 |
| Heavy Atoms | 21 |
| Complexity | 730.2847 |
Chemical Identifiers
| CAS Number | 577698-13-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OC(=C2[N+](=O)[O-])C=CN(C)C |
Product Overview
[2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate (CAS 577698-13-6), with molecular formula C14H14N2O5 and molecular weight 290.09 g/mol. IUPAC: [2-[2-(dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate.
Chemical Property Profile of [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate
Property Insights of [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate
The XLogP value of 2.7986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate. The TPSA of 85.82 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate. Following Lipinski's Rule of Five, [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate has 0 hydrogen bond donor(s) and 6 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 [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate?
The CAS number of [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate is 577698-13-6.
What is the molecular formula of [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate?
The molecular formula of [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate is C14H14N2O5.
What is the molecular weight of [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate?
The molecular weight of [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate is 290.09 g/mol.
Where can I buy [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate?
You can request a quote for [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-[2-(Dimethylamino)ethenyl]-3-nitro-1-benzofuran-5-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.