4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide
TL;DR: 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide (CAS 164926-74-3) is a chemical compound with molecular formula C5H7N3O4 and molecular weight 173.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylate
Also Known As: 4-amino-3-ethoxycarbonylfuroxan, ZERO/004941, 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide, 4-amino-3-(ethoxycarbonyl)-1,2,5-oxadiazol-2-ium-2-olate, ethyl 4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylate
| Molecular Formula | C5H7N3O4 |
|---|---|
| Molecular Weight | 173.04 g/mol |
| LogP | -0.9331 |
| Topological Polar Surface Area | 105.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.04366 |
| Heavy Atoms | 12 |
| Complexity | 275.38348 |
Chemical Identifiers
| CAS Number | 164926-74-3 |
|---|---|
| SMILES | CCOC(=O)C1=[N+](ON=C1N)[O-] |
Product Overview
4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide (CAS 164926-74-3), with molecular formula C5H7N3O4 and molecular weight 173.04 g/mol. IUPAC: ethyl 4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxylate.
Chemical Property Profile of 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide
Property Insights of 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide
The XLogP value of -0.9331 indicates that 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide. Following Lipinski's Rule of Five, 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide has 1 hydrogen bond donor(s) and 6 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 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide?
The CAS number of 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide is 164926-74-3.
What is the molecular formula of 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide?
The molecular formula of 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide is C5H7N3O4.
What is the molecular weight of 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide?
The molecular weight of 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide is 173.04 g/mol.
Where can I buy 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide?
You can request a quote for 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-(ethoxycarbonyl)-1,2,5-oxadiazole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.