![3-[(3-Nitrophenyl)methylidene]oxolan-2-one structure](/static/products/1705/1705-45-9.webp)
3-[(3-Nitrophenyl)methylidene]oxolan-2-one
TL;DR: 3-[(3-Nitrophenyl)methylidene]oxolan-2-one (CAS 1705-45-9) 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.
3-[(3-nitrophenyl)methylidene]oxolan-2-one
Also Known As: 3-[(3-nitrophenyl)methylidene]oxolan-2-one, 2(3H)-Furanone,dihydro-3-[(3-nitrophenyl)methylene]-
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 1705-45-9 |
|---|---|
| SMILES | C1COC(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | UCUHWEXTZBUIPQ-UHFFFAOYSA-N |
Product Overview
3-[(3-Nitrophenyl)methylidene]oxolan-2-one (CAS 1705-45-9), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 3-[(3-nitrophenyl)methylidene]oxolan-2-one.
Chemical Property Profile of 3-[(3-Nitrophenyl)methylidene]oxolan-2-one
Property Insights of 3-[(3-Nitrophenyl)methylidene]oxolan-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Nitrophenyl)methylidene]oxolan-2-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Nitrophenyl)methylidene]oxolan-2-one. Following Lipinski's Rule of Five, 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 3-[(3-Nitrophenyl)methylidene]oxolan-2-one?
The CAS number of 3-[(3-Nitrophenyl)methylidene]oxolan-2-one is 1705-45-9.
What is the molecular formula of 3-[(3-Nitrophenyl)methylidene]oxolan-2-one?
The molecular formula of 3-[(3-Nitrophenyl)methylidene]oxolan-2-one is C11H9NO4.
What is the molecular weight of 3-[(3-Nitrophenyl)methylidene]oxolan-2-one?
The molecular weight of 3-[(3-Nitrophenyl)methylidene]oxolan-2-one is 219.05 g/mol.
Where can I buy 3-[(3-Nitrophenyl)methylidene]oxolan-2-one?
You can request a quote for 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 3-[(3-Nitrophenyl)methylidene]oxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Nitrophenyl)methylidene]oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.