![(3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one structure](/static/products/205/20586-29-2.png)
(3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one
TL;DR: (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one (CAS 20586-29-2) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one
Also Known As: m-Trifluormethyl-valerophenon, 3-(3-nitrobenzylidene)dihydrofuran-2(3h)-one, 3-[(3-nitrophenyl)methylidene]oxolan-2-one, (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 1.9251 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 478.62784 |
Chemical Identifiers
| CAS Number | 20586-29-2 |
|---|---|
| SMILES | C\1COC(=O)/C1=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one (CAS 20586-29-2), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one.
Chemical Property Profile of (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one
Property Insights of (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one
The XLogP value of 1.9251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one. Following Lipinski's Rule of Five, (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-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 (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one?
The CAS number of (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one is 20586-29-2.
What is the molecular formula of (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one?
The molecular formula of (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one is C11H9NO4.
What is the molecular weight of (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one?
The molecular weight of (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one is 219.05 g/mol.
Where can I buy (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one?
You can request a quote for (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[(3-nitrophenyl)methylidene]oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.