ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
TL;DR: ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate (CAS 349565-07-7) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-(2-methoxy-2-oxoethyl)imidazole-4-carboxylate
Also Known As: ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate, methyl 2-[5-amino-4-(ethoxycarbonyl)imidazolyl]acetate, ethyl 5-amino-1-(2-methoxy-2-oxoethyl)imidazole-4-carboxylate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -0.185 |
| Topological Polar Surface Area | 96.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 399.4584 |
Chemical Identifiers
| CAS Number | 349565-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C=N1)CC(=O)OC)N |
Product Overview
ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate (CAS 349565-07-7), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: ethyl 5-amino-1-(2-methoxy-2-oxoethyl)imidazole-4-carboxylate.
Chemical Property Profile of ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
Property Insights of ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
The XLogP value of -0.185 indicates that ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate 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 ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
The CAS number of ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate is 349565-07-7.
What is the molecular formula of ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
The molecular formula of ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate is C9H13N3O4.
What is the molecular weight of ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
The molecular weight of ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate is 227.09 g/mol.
Where can I buy ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
You can request a quote for ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-1-(2-methoxy-2-oxoethyl)-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.