![3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one structure](/static/products/930/93041-56-6.png)
3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one
TL;DR: 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one (CAS 93041-56-6) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxy-3-nitrophenyl)methylidene]oxolan-2-one
Also Known As: 3-[(4-methoxy-3-nitrophenyl)methylidene]oxolan-2-one, 3-(4-methoxy-3-nitrobenzylidene)dihydrofuran-2(3h)-one
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 93041-56-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C2CCOC2=O)[N+](=O)[O-] |
| InChIKey | AFCFQJKLHJPJNX-UHFFFAOYSA-N |
Product Overview
3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one (CAS 93041-56-6), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: 3-[(4-methoxy-3-nitrophenyl)methylidene]oxolan-2-one.
Chemical Property Profile of 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one
Property Insights of 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one. Following Lipinski's Rule of Five, 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-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 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one?
The CAS number of 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one is 93041-56-6.
What is the molecular formula of 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one?
The molecular formula of 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one is C12H11NO5.
What is the molecular weight of 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one?
The molecular weight of 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one is 249.06 g/mol.
Where can I buy 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one?
You can request a quote for 3-[(4-Methoxy-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-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methoxy-3-nitrophenyl)methylidene]oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.