(Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one
TL;DR: (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one (CAS 30516-66-6) is a chemical compound with molecular formula C17H13NO5 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(4-ethoxyphenyl)-nitromethylidene]-2-benzofuran-1-one
Also Known As: (3Z)-3-[(4-ethoxyphenyl)-nitromethylidene]-2-benzofuran-1-one, (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 3.3582 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 807.98834 |
Chemical Identifiers
| CAS Number | 30516-66-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C/2\C3=CC=CC=C3C(=O)O2)/[N+](=O)[O-] |
Product Overview
(Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one (CAS 30516-66-6), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: (3Z)-3-[(4-ethoxyphenyl)-nitromethylidene]-2-benzofuran-1-one.
Chemical Property Profile of (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one
Property Insights of (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one
The XLogP value of 3.3582 indicates that (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-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 (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one?
The CAS number of (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one is 30516-66-6.
What is the molecular formula of (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one?
The molecular formula of (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one is C17H13NO5.
What is the molecular weight of (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one?
The molecular weight of (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one is 311.08 g/mol.
Where can I buy (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one?
You can request a quote for (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-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 (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-((4-ethoxyphenyl)(nitro)methylene)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.