![3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one structure](/static/products/3387/338753-80-3.webp)
3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one
TL;DR: 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one (CAS 338753-80-3) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one
Also Known As: 3-(2-dimethylamino-1-nitro-ethenyl)-3H-isobenzofuran-1-one, 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one, 3-[2-(dimethylamino)-1-nitrovinyl]-2-benzofuran-1(3H)-one
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.5778 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 536.63385 |
Chemical Identifiers
| CAS Number | 338753-80-3 |
|---|---|
| SMILES | CN(C)C=C(C1C2=CC=CC=C2C(=O)O1)[N+](=O)[O-] |
Product Overview
3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one (CAS 338753-80-3), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one
Property Insights of 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one
The XLogP value of 1.5778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one. Following Lipinski's Rule of Five, 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one has 0 hydrogen bond donor(s) and 5 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 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one?
The CAS number of 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one is 338753-80-3.
What is the molecular formula of 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one?
The molecular formula of 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one is C12H12N2O4.
What is the molecular weight of 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one?
The molecular weight of 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one is 248.08 g/mol.
Where can I buy 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one?
You can request a quote for 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(dimethylamino)-1-nitroethenyl]-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.