1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester
TL;DR: 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester (CAS 108905-63-1) is a chemical compound with molecular formula C7H9BrN2O2S and molecular weight 263.95682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-bromo-3-methyl-2-methylsulfanylimidazole-4-carboxylate
Also Known As: methyl 4-bromo-1-methyl-2-(methylsulfanyl)-1h-imidazole-5-carboxylate, methyl 5-bromo-3-methyl-2-methylsulfanylimidazole-4-carboxylate, 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester, Methyl 5-bromo-3-methyl-2-methylthioimidazole-4-carboxylate, 1H-Imidazole-5-carboxylicacid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester
Technical Specifications
| Molecular Formula | C7H9BrN2O2S |
| Molecular Weight | 263.95682 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.95682 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | CN1C(=C(N=C1SC)Br)C(=O)OC |
| InChIKey | NQDBVMAPOGIOSD-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester
Property Insights of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester. Following Lipinski's Rule of Five, 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester?
The CAS number of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester is 108905-63-1.
What is the molecular formula of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester?
The molecular formula of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester is C7H9BrN2O2S.
What is the molecular weight of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester?
The molecular weight of 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester is 263.95682 g/mol.
Where can I buy 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester?
You can request a quote for 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 1H-Imidazole-5-carboxylic acid, 4-bromo-1-methyl-2-(methylthio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.