![methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate structure](/static/products/3392/339278-22-7.webp)
methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate
TL;DR: methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate (CAS 339278-22-7) is a chemical compound with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxylate
Also Known As: methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate, methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole-5-carboxylate, methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxylate, methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-imidazole-4-carboxylate, methyl2-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-1H-imidazole-5-carboxylate
| Molecular Formula | C13H13ClN2O2S |
|---|---|
| Molecular Weight | 296.04 g/mol |
| LogP | 3.1524 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.03864 |
| Heavy Atoms | 19 |
| Complexity | 580.8292 |
Chemical Identifiers
| CAS Number | 339278-22-7 |
|---|---|
| SMILES | CN1C(=CN=C1SCC2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate (CAS 339278-22-7), with molecular formula C13H13ClN2O2S and molecular weight 296.04 g/mol. IUPAC: methyl 2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazole-4-carboxylate.
Chemical Property Profile of methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate
Property Insights of methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate
The XLogP value of 3.1524 indicates that methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate has 0 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 methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate?
The CAS number of methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate is 339278-22-7.
What is the molecular formula of methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate?
The molecular formula of methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate is C13H13ClN2O2S.
What is the molecular weight of methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate?
The molecular weight of methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate is 296.04 g/mol.
Where can I buy methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate?
You can request a quote for methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.