Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate
TL;DR: Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate (CAS 92503-06-5) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-methoxy-2-oxoethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate
Also Known As: methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate, methyl 5-(2-methoxy-2-oxoethyl)-2-methylsulfanyl-1H-imidazol, methyl 5-(2-methoxy-2-oxoethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate, 2-Methylmercapto-4-methoxycarbonyl-5-imidazolyl-essigsaeure-methylester, methyl 5-(methoxycarbonylmethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 92503-06-5 |
|---|---|
| SMILES | COC(=O)CC1=C(N=C(N1)SC)C(=O)OC |
| InChIKey | UDIDJOVIIVGEJD-UHFFFAOYSA-N |
Product Overview
Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate (CAS 92503-06-5), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: methyl 5-(2-methoxy-2-oxoethyl)-2-methylsulfanyl-1H-imidazole-4-carboxylate.
Chemical Property Profile of Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate
Property Insights of Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate?
The CAS number of Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate is 92503-06-5.
What is the molecular formula of Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate?
The molecular formula of Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate is C9H12N2O4S.
What is the molecular weight of Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate?
The molecular weight of Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate is 244.05 g/mol.
Where can I buy Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate?
You can request a quote for Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-1h-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.