3-(Nitrophenylmethylene)isobenzofuran-1-one
TL;DR: 3-(Nitrophenylmethylene)isobenzofuran-1-one (CAS 92424-73-2) is a chemical compound with molecular formula C15H9NO4 and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[nitro(phenyl)methylidene]-2-benzofuran-1-one
Also Known As: BAS 00163767, 3-(nitrophenylmethylene)isobenzofuran-1-one, 3-(Nitro-phenyl-methylene)-3H-isobenzofuran-1-one, (3E)-3-[nitro(phenyl)methylidene]-2-benzofuran-1-one, (E)-3-(nitro(phenyl)methylene)isobenzofuran-1(3H)-one
| Molecular Formula | C15H9NO4 |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 2.9595 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.05316 |
| Heavy Atoms | 20 |
| Complexity | 734.5485 |
Chemical Identifiers
| CAS Number | 92424-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C\2/C3=CC=CC=C3C(=O)O2)/[N+](=O)[O-] |
Product Overview
3-(Nitrophenylmethylene)isobenzofuran-1-one (CAS 92424-73-2), with molecular formula C15H9NO4 and molecular weight 267.05 g/mol. IUPAC: (3E)-3-[nitro(phenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 3-(Nitrophenylmethylene)isobenzofuran-1-one
Property Insights of 3-(Nitrophenylmethylene)isobenzofuran-1-one
The XLogP value of 2.9595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Nitrophenylmethylene)isobenzofuran-1-one. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Nitrophenylmethylene)isobenzofuran-1-one. Following Lipinski's Rule of Five, 3-(Nitrophenylmethylene)isobenzofuran-1-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-(Nitrophenylmethylene)isobenzofuran-1-one?
The CAS number of 3-(Nitrophenylmethylene)isobenzofuran-1-one is 92424-73-2.
What is the molecular formula of 3-(Nitrophenylmethylene)isobenzofuran-1-one?
The molecular formula of 3-(Nitrophenylmethylene)isobenzofuran-1-one is C15H9NO4.
What is the molecular weight of 3-(Nitrophenylmethylene)isobenzofuran-1-one?
The molecular weight of 3-(Nitrophenylmethylene)isobenzofuran-1-one is 267.05 g/mol.
Where can I buy 3-(Nitrophenylmethylene)isobenzofuran-1-one?
You can request a quote for 3-(Nitrophenylmethylene)isobenzofuran-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-(Nitrophenylmethylene)isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Nitrophenylmethylene)isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.