![5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- structure](/static/products/5773/57731-07-4.webp)
5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-
TL;DR: 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- (CAS 57731-07-4) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
Also Known As: Maybridge1_000122, 2,4,6-tribromo-thiophenol, MixCom1_000232, 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-, 2-methyl-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 57731-07-4 |
|---|---|
| SMILES | CC1=NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O1 |
| InChIKey | ABNNCLKVUMXLSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- (CAS 57731-07-4), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: 2-methyl-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-
Property Insights of 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-. Following Lipinski's Rule of Five, 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- 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 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-?
The CAS number of 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- is 57731-07-4.
What is the molecular formula of 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-?
The molecular formula of 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- is C11H8N2O4.
What is the molecular weight of 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-?
The molecular weight of 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- is 232.05 g/mol.
Where can I buy 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-?
You can request a quote for 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 5(4H)-Oxazolone, 2-methyl-4-[(3-nitrophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.