Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester
TL;DR: Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester (CAS 120809-55-4) 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.
methyl 2,5-dibromo-3-methylimidazole-4-carboxylate
Also Known As: methyl 2,5-dibromo-3-methylimidazole-4-carboxylate, methyl 2,4-dibromo-1-methyl-1H-imidazole-5-carboxylate, 2,4-Dibromo-1-methyl-1H-imidazole-5-carboxylic acid methyl ester, 1H-Imidazole-5-carboxylicacid, 2,4-dibromo-1-methyl-, methyl ester, Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester
| Molecular Formula | C6H6Br2N2O2 |
|---|---|
| Molecular Weight | 295.88 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.8796 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 120809-55-4 |
|---|---|
| SMILES | CN1C(=C(N=C1Br)Br)C(=O)OC |
| InChIKey | FEXBHFZPLXHJAK-UHFFFAOYSA-N |
Product Overview
Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester (CAS 120809-55-4), with molecular formula C6H6Br2N2O2 and molecular weight 295.88 g/mol. IUPAC: methyl 2,5-dibromo-3-methylimidazole-4-carboxylate.
Chemical Property Profile of Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester
Property Insights of Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester. With a topological polar surface area (TPSA) of 44.1 Ų, Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester has 0 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 Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester?
The CAS number of Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester is 120809-55-4.
What is the molecular formula of Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester?
The molecular formula of Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester is C6H6Br2N2O2.
What is the molecular weight of Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester?
The molecular weight of Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester is 295.88 g/mol.
Where can I buy Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester?
You can request a quote for Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Imidazole-4-carboxylic acid, 2,5-dibromo-3-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.