ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate
TL;DR: ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate (CAS 62011-88-5) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-3-phenylimidazole-4-carboxylate
Also Known As: ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate, ethyl 5-amino-3-phenylimidazole-4-carboxylate, Ethyl 5-amino-3-phenyl-imidazole-4-carboxylate, 1-phenyl-4-amino-5-ethoxycarbonyl-imidazole, 1H-Imidazole-5-carboxylic acid, 4-amino-1-phenyl-, ethyl ester
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.6312 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 519.80194 |
Chemical Identifiers
| CAS Number | 62011-88-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CN1C2=CC=CC=C2)N |
Product Overview
ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate (CAS 62011-88-5), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl 5-amino-3-phenylimidazole-4-carboxylate.
Chemical Property Profile of ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate
Property Insights of ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate
The XLogP value of 1.6312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate has 1 hydrogen bond donor(s) and 4 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 4-amino-1-phenyl-1H-imidazole-5-carboxylate?
The CAS number of ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate is 62011-88-5.
What is the molecular formula of ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate?
The molecular formula of ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate is C12H13N3O2.
What is the molecular weight of ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate?
The molecular weight of ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate is 231.10 g/mol.
Where can I buy ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate?
You can request a quote for ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-1-phenyl-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.