1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
TL;DR: 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid (CAS 403479-30-1) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-methylsulfanylimidazole-4-carboxylic acid
Also Known As: 1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID, 1-Benzyl-2-(methylthio)-1H-imidazole-5-carboxylic acid, AKOS BB-8903, SDCCGMLS-0066074.P001, 3-benzyl-2-methylsulfanylimidazole-4-carboxylic acid
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.3515 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 522.5568 |
Chemical Identifiers
| CAS Number | 403479-30-1 |
|---|---|
| SMILES | CSC1=NC=C(N1CC2=CC=CC=C2)C(=O)O |
Product Overview
1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid (CAS 403479-30-1), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 3-benzyl-2-methylsulfanylimidazole-4-carboxylic acid.
Chemical Property Profile of 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
Property Insights of 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid
The XLogP value of 2.3515 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-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-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
The CAS number of 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid is 403479-30-1.
What is the molecular formula of 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
The molecular formula of 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid is C12H12N2O2S.
What is the molecular weight of 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
The molecular weight of 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid is 248.06 g/mol.
Where can I buy 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
You can request a quote for 1-Benzyl-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-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-(methylsulfanyl)-1H-imidazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.