Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate
TL;DR: Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate (CAS 137997-30-9) is a chemical compound with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate
Also Known As: Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate, ethyl 2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate, ethyl 2-butyl-4-(methylthio)-1H-imidazole-5-carboxylate, 1H-Imidazole-4-carboxylic acid, 2-butyl-5-(methylthio)-, ethyl ester, ethyl 2-n-butyl-4-(methylthio)-1H-imidazole-5-carboxylate
| Molecular Formula | C11H18N2O2S |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.6509 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.1089 |
| Heavy Atoms | 16 |
| Complexity | 349.7538 |
Chemical Identifiers
| CAS Number | 137997-30-9 |
|---|---|
| SMILES | CCCCC1=NC(=C(N1)C(=O)OCC)SC |
Product Overview
Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate (CAS 137997-30-9), with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol. IUPAC: ethyl 2-butyl-4-methylsulfanyl-1H-imidazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate
Property Insights of Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate
The XLogP value of 2.6509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate. With a topological polar surface area (TPSA) of 54.98 Ų, Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate 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 Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate?
The CAS number of Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate is 137997-30-9.
What is the molecular formula of Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate?
The molecular formula of Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate is C11H18N2O2S.
What is the molecular weight of Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate?
The molecular weight of Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate is 242.11 g/mol.
Where can I buy Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate?
You can request a quote for Ethyl 2-butyl-5-methylsulfanyl-3H-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 Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.