Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate
TL;DR: Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate (CAS 74478-96-9) is a chemical compound with molecular formula C6H6Br2N2O2 and molecular weight 295.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dibromo-1H-imidazole-4-carboxylate
Also Known As: Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate, ethyl 2,5-dibromo-1H-imidazole-4-carboxylate, 2,4-Dibromo-5-imidazolic acid, ethyl ester, Ethyl2,4-dibromo-1H-imidazole-5-carboxylate, J1.590.376G
| Molecular Formula | C6H6Br2N2O2 |
|---|---|
| Molecular Weight | 295.88 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.8796 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 74478-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=N1)Br)Br |
| InChIKey | AIKWQIDGBPGVEV-UHFFFAOYSA-N |
Product Overview
Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate (CAS 74478-96-9), with molecular formula C6H6Br2N2O2 and molecular weight 295.88 g/mol. IUPAC: ethyl 2,5-dibromo-1H-imidazole-4-carboxylate.
Chemical Property Profile of Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate
Property Insights of Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate has 1 hydrogen bond donor(s) and 3 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 2,4-dibromo-1H-imidazole-5-carboxylate?
The CAS number of Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate is 74478-96-9.
What is the molecular formula of Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate?
The molecular formula of Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate is C6H6Br2N2O2.
What is the molecular weight of Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate?
The molecular weight of Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate is 295.88 g/mol.
Where can I buy Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate?
You can request a quote for Ethyl 2,4-dibromo-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 2,4-dibromo-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dibromo-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.