3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one
TL;DR: 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one (CAS 30516-73-5) is a chemical compound with molecular formula C23H17NO4 and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[nitro-[4-(2-phenylethyl)phenyl]methylidene]-2-benzofuran-1-one
Also Known As: 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one, 3-[nitro-(4-phenethylphenyl)methylidene]-2-benzofuran-1-one
| Molecular Formula | C23H17NO4 |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 4.7447 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.11575 |
| Heavy Atoms | 28 |
| Complexity | 1069.2711 |
Chemical Identifiers
| CAS Number | 30516-73-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-] |
Product Overview
3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one (CAS 30516-73-5), with molecular formula C23H17NO4 and molecular weight 371.12 g/mol. IUPAC: 3-[nitro-[4-(2-phenylethyl)phenyl]methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one
Property Insights of 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one
The XLogP value of 4.7447 indicates that 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one. Following Lipinski's Rule of Five, 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 4 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-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one?
The CAS number of 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one is 30516-73-5.
What is the molecular formula of 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one?
The molecular formula of 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one is C23H17NO4.
What is the molecular weight of 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one?
The molecular weight of 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one is 371.12 g/mol.
Where can I buy 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one?
You can request a quote for 3-(nitro(4-phenethylphenyl)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 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(nitro(4-phenethylphenyl)methylene)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.