ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate
TL;DR: ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate (CAS 736146-14-8) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-imidazol-1-yl-3-nitrobenzoate
Also Known As: ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate, ethyl 4-imidazol-1-yl-3-nitrobenzoate, ethyl 4-imidazolyl-3-nitrobenzoate, 4-Imidazol-1-yl-3-nitro-benzoic acid ethyl ester, ethyl 4-imidazol-1-yl-3-nitro-benzoate
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.9572 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 607.442 |
Chemical Identifiers
| CAS Number | 736146-14-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N2C=CN=C2)[N+](=O)[O-] |
Product Overview
ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate (CAS 736146-14-8), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: ethyl 4-imidazol-1-yl-3-nitrobenzoate.
Chemical Property Profile of ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate
Property Insights of ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate
The XLogP value of 1.9572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate. Following Lipinski's Rule of Five, ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate has 0 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 ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
The CAS number of ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate is 736146-14-8.
What is the molecular formula of ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
The molecular formula of ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate is C12H11N3O4.
What is the molecular weight of ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
The molecular weight of ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate is 261.07 g/mol.
Where can I buy ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
You can request a quote for ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(1H-imidazol-1-yl)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.