5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester
TL;DR: 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester (CAS 2950-92-7) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-3-phenyl-1,2-oxazole-4-carboxylate
Also Known As: Ethyl 5-amino-3-phenylisoxazole-4-carboxylate, 5-AMINO-3-PHENYL-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, ethyl 5-amino-3-phenyl-1,2-oxazole-4-carboxylate, 3-phenyl-carbethoxy-5-aminoisoxazole, 3075AJ
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 2950-92-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(ON=C1C2=CC=CC=C2)N |
| InChIKey | RXAUWXZMIWBIES-UHFFFAOYSA-N |
Product Overview
5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester (CAS 2950-92-7), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: ethyl 5-amino-3-phenyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester
Property Insights of 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester has 1 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-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester?
The CAS number of 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester is 2950-92-7.
What is the molecular formula of 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester?
The molecular formula of 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester is C12H12N2O3.
What is the molecular weight of 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester?
The molecular weight of 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester is 232.08 g/mol.
Where can I buy 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester?
You can request a quote for 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.