3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester
TL;DR: 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester (CAS 159670-70-9) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.05896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
Also Known As: Ethyl 3-(4-nitrophenyl)isoxazole-5-carboxylate, 3-(4-NITRO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate, 2008AJ, Ethyl3-(4-nitrophenyl)isoxazole-5-carboxylate
Technical Specifications
| Molecular Formula | C12H10N2O5 |
| Molecular Weight | 262.05896 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.05896 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | CCOC(=O)C1=CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | WZFPZKCSNGEMJX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester
Property Insights of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester?
The CAS number of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester is 159670-70-9.
What is the molecular formula of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester?
The molecular formula of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester is C12H10N2O5.
What is the molecular weight of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester?
The molecular weight of 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester is 262.05896 g/mol.
Where can I buy 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester?
You can request a quote for 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(4-Nitro-phenyl)-isoxazole-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.