Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate
TL;DR: Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate (CAS 1098-38-0) is a chemical compound with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate
Also Known As: diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate, Diethyl 1-benzyl-2-(methylsulfanyl)-1H-imidazole-4,5-dicarboxylate
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 1098-38-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=N1)SC)CC2=CC=CC=C2)C(=O)OCC |
| InChIKey | MYGVEFURXDTEIP-UHFFFAOYSA-N |
Product Overview
Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate (CAS 1098-38-0), with molecular formula C17H20N2O4S and molecular weight 348.11 g/mol. IUPAC: diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate
Property Insights of Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate
The XLogP value of 3.6 indicates that Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate has 0 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 Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate?
The CAS number of Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate is 1098-38-0.
What is the molecular formula of Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate?
The molecular formula of Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate is C17H20N2O4S.
What is the molecular weight of Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate?
The molecular weight of Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate is 348.11 g/mol.
Where can I buy Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate?
You can request a quote for Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-benzyl-2-methylsulfanylimidazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.