(Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate
TL;DR: (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate (CAS 672332-64-8) is a chemical compound with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
Also Known As: (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate, VU0510418-1, (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-dimethylcarbamate, [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate, (2Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl dimethylcarbamate
| Molecular Formula | C18H14N2O6 |
|---|---|
| Molecular Weight | 354.09 g/mol |
| LogP | 3.2714 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.08517 |
| Heavy Atoms | 26 |
| Complexity | 948.4476 |
Chemical Identifiers
| CAS Number | 672332-64-8 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/O2 |
Product Overview
(Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate (CAS 672332-64-8), with molecular formula C18H14N2O6 and molecular weight 354.09 g/mol. IUPAC: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate.
Chemical Property Profile of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate
Property Insights of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate
The XLogP value of 3.2714 indicates that (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate. Following Lipinski's Rule of Five, (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate 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 (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate?
The CAS number of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate is 672332-64-8.
What is the molecular formula of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate?
The molecular formula of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate is C18H14N2O6.
What is the molecular weight of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate?
The molecular weight of (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate is 354.09 g/mol.
Where can I buy (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate?
You can request a quote for (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.