1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
TL;DR: 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid (CAS 750598-95-9) is a chemical compound with molecular formula C11H9FN2O2S and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylic acid
Also Known As: 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid, 1-(4-fluorophenyl)-2-(methylthio)-1H-imidazole-5-carboxylic acid, 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylic acid, 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylicacid, 3-(4-FLUOROPHENYL)-2-(METHYLSULFANYL)IMIDAZOLE-4-CARBOXYLIC ACID
| Molecular Formula | C11H9FN2O2S |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 2.4315 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.03688 |
| Heavy Atoms | 17 |
| Complexity | 551.0991 |
Chemical Identifiers
| CAS Number | 750598-95-9 |
|---|---|
| SMILES | CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)O |
Product Overview
1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid (CAS 750598-95-9), with molecular formula C11H9FN2O2S and molecular weight 252.04 g/mol. IUPAC: 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylic acid.
Chemical Property Profile of 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
Property Insights of 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
The XLogP value of 2.4315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid 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 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
The CAS number of 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid is 750598-95-9.
What is the molecular formula of 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
The molecular formula of 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid is C11H9FN2O2S.
What is the molecular weight of 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
The molecular weight of 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid is 252.04 g/mol.
Where can I buy 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
You can request a quote for 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.