![2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid structure](/static/products/860/860787-97-9.png)
2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid
TL;DR: 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid (CAS 860787-97-9) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylsulfanyl-3-methylimidazol-4-yl)quinoline-4-carboxylic acid
Also Known As: 1N-301S, 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid, 2-(2-ethylsulfanyl-3-methylimidazol-4-yl)quinoline-4-carboxylic acid, 2-(2-(Ethylthio)-1-methyl-1H-imidazol-5-yl)quinoline-4-carboxylic acid, 2-(2-ethylsulfanyl-3-methyl-imidazol-4-yl)quinoline-4-carboxylic Acid
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.4455 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 857.71826 |
Chemical Identifiers
| CAS Number | 860787-97-9 |
|---|---|
| SMILES | CCSC1=NC=C(N1C)C2=NC3=CC=CC=C3C(=C2)C(=O)O |
Product Overview
2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid (CAS 860787-97-9), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 2-(2-ethylsulfanyl-3-methylimidazol-4-yl)quinoline-4-carboxylic acid.
Chemical Property Profile of 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid
Property Insights of 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid
The XLogP value of 3.4455 indicates that 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid. Following Lipinski's Rule of Five, 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid has 1 hydrogen bond donor(s) and 4 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 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid?
The CAS number of 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid is 860787-97-9.
What is the molecular formula of 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid?
The molecular formula of 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid is C16H15N3O2S.
What is the molecular weight of 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid?
The molecular weight of 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid is 313.09 g/mol.
Where can I buy 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid?
You can request a quote for 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-4-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.