![3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one structure](/static/products/3387/338753-94-9.webp)
3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one
TL;DR: 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one (CAS 338753-94-9) is a chemical compound with molecular formula C16H11ClN2O4 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chloroanilino)-1-nitroethenyl]-3H-2-benzofuran-1-one
Also Known As: 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one, 3-[2-(4-chloroanilino)-1-nitroethenyl]-3H-2-benzofuran-1-one, 3-{2-[(4-chlorophenyl)amino]-1-nitroethenyl}-3H-2-benzofuran-1-one
| Molecular Formula | C16H11ClN2O4 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 3.7817 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.04074 |
| Heavy Atoms | 23 |
| Complexity | 801.9825 |
Chemical Identifiers
| CAS Number | 338753-94-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OC2=O)C(=CNC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one (CAS 338753-94-9), with molecular formula C16H11ClN2O4 and molecular weight 330.04 g/mol. IUPAC: 3-[2-(4-chloroanilino)-1-nitroethenyl]-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one
Property Insights of 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one
The XLogP value of 3.7817 indicates that 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one has 1 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-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one?
The CAS number of 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one is 338753-94-9.
What is the molecular formula of 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one?
The molecular formula of 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one is C16H11ClN2O4.
What is the molecular weight of 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one?
The molecular weight of 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one is 330.04 g/mol.
Where can I buy 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one?
You can request a quote for 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-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-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-chloroanilino)-1-nitrovinyl]-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.